3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide

C68H69F3N26O6 — CID 135182075

IUPAC3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOCC1(Nc2ccc(N3CCC(C)(N)CC3)c(NC(=O)c3nc(-c4nccc(OC)c4C#N)cnc3N)n2)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2Nc2cnc(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(C)(N)CC4)n3)c(C#N)c2)CC1
InChIInChI=1S/C68H69F3N26O6/c1-65(76)14-24-95(25-15-65)44-8-5-21-80-58(44)91-62(98)53-56(74)83-34-41(87-53)50-38(31-72)30-39(33-82-50)86-61-55(89-43(36-85-61)52-48(10-7-20-78-52)103-68(69,70)71)64(100)92-59-45(9-6-22-81-59)97-28-18-67(19-29-97,37-101-3)94-49-12-11-46(96-26-16-66(2,77)17-27-96)60(90-49)93-63(99)54-57(75)84-35-42(88-54)51-40(32-73)47(102-4)13-23-79-51/h5-13,20-23,30,33-36H,14-19,24-29,37,76-77H2,1-4H3,(H2,74,83)(H2,75,84)(H,85,86)(H,80,91,98)(H,81,92,100)(H2,90,93,94,99)
InChIKeyQUQYTBUEKLXXTP-UHFFFAOYSA-N
MW1403.47 g/mol
LogP7.48
Rot. Bonds20

About 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 135182075) has the molecular formula C68H69F3N26O6 and a molecular weight of 1403.47 g/mol. Its IUPAC name is 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID135182075
Molecular FormulaC68H69F3N26O6
Molecular Weight1403.47 g/mol
Exact Mass1402.58
IUPAC Name3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCOCC1(Nc2ccc(N3CCC(C)(N)CC3)c(NC(=O)c3nc(-c4nccc(OC)c4C#N)cnc3N)n2)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2Nc2cnc(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(C)(N)CC4)n3)c(C#N)c2)CC1
InChIInChI=1S/C68H69F3N26O6/c1-65(76)14-24-95(25-15-65)44-8-5-21-80-58(44)91-62(98)53-56(74)83-34-41(87-53)50-38(31-72)30-39(33-82-50)86-61-55(89-43(36-85-61)52-48(10-7-20-78-52)103-68(69,70)71)64(100)92-59-45(9-6-22-81-59)97-28-18-67(19-29-97,37-101-3)94-49-12-11-46(96-26-16-66(2,77)17-27-96)60(90-49)93-63(99)54-57(75)84-35-42(88-54)51-40(32-73)47(102-4)13-23-79-51/h5-13,20-23,30,33-36H,14-19,24-29,37,76-77H2,1-4H3,(H2,74,83)(H2,75,84)(H,85,86)(H,80,91,98)(H,81,92,100)(H2,90,93,94,99)
InChIKeyQUQYTBUEKLXXTP-UHFFFAOYSA-N
XLogP7.48
TPSA455.11 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.47
LogP ≤ 57.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide (CID 135182075) is 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide is COCC1(Nc2ccc(N3CCC(C)(N)CC3)c(NC(=O)c3nc(-c4nccc(OC)c4C#N)cnc3N)n2)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3OC(F)(F)F)cnc2Nc2cnc(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(C)(N)CC4)n3)c(C#N)c2)CC1.
What is the InChIKey of 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is QUQYTBUEKLXXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H69F3N26O6/c1-65(76)14-24-95(25-15-65)44-8-5-21-80-58(44)91-62(98)53-56(74)83-34-41(87-53)50-38(31-72)30-39(33-82-50)86-61-55(89-43(36-85-61)52-48(10-7-20-78-52)103-68(69,70)71)64(100)92-59-45(9-6-22-81-59)97-28-18-67(19-29-97,37-101-3)94-49-12-11-46(96-26-16-66(2,77)17-27-96)60(90-49)93-63(99)54-57(75)84-35-42(88-54)51-40(32-73)47(102-4)13-23-79-51/h5-13,20-23,30,33-36H,14-19,24-29,37,76-77H2,1-4H3,(H2,74,83)(H2,75,84)(H,85,86)(H,80,91,98)(H,81,92,100)(H2,90,93,94,99).
What are the key properties of 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 1403.47 g/mol, XLogP of 7.48, 20 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[5-[[3-[[3-[4-[[6-[[3-amino-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carbonyl]amino]-5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]carbamoyl]-5-[3-(trifluoromethoxy)-2-pyridinyl]pyrazin-2-yl]amino]-3-cyano-2-pyridinyl]-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 135182075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).