3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

C27H32F3N9O2 — CID 118875841

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESC[C@@H]1COCCN1c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1
InChIInChI=1S/C27H32F3N9O2/c1-16-15-41-13-12-39(16)20-6-5-17(27(28,29)30)21(36-20)18-14-34-23(31)22(35-18)25(40)37-24-19(4-3-9-33-24)38-10-7-26(2,32)8-11-38/h3-6,9,14,16H,7-8,10-13,15,32H2,1-2H3,(H2,31,34)(H,33,37,40)/t16-/m1/s1
InChIKeyHTPZZARNXXDSIZ-MRXNPFEDSA-N
MW571.61 g/mol
LogP3.33
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118875841) has the molecular formula C27H32F3N9O2 and a molecular weight of 571.61 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118875841
Molecular FormulaC27H32F3N9O2
Molecular Weight571.61 g/mol
Exact Mass571.26
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESC[C@@H]1COCCN1c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1
InChIInChI=1S/C27H32F3N9O2/c1-16-15-41-13-12-39(16)20-6-5-17(27(28,29)30)21(36-20)18-14-34-23(31)22(35-18)25(40)37-24-19(4-3-9-33-24)38-10-7-26(2,32)8-11-38/h3-6,9,14,16H,7-8,10-13,15,32H2,1-2H3,(H2,31,34)(H,33,37,40)/t16-/m1/s1
InChIKeyHTPZZARNXXDSIZ-MRXNPFEDSA-N
XLogP3.33
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.61
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118875841) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is C[C@@H]1COCCN1c1ccc(C(F)(F)F)c(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(C)(N)CC3)n2)n1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is HTPZZARNXXDSIZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H32F3N9O2/c1-16-15-41-13-12-39(16)20-6-5-17(27(28,29)30)21(36-20)18-14-34-23(31)22(35-18)25(40)37-24-19(4-3-9-33-24)38-10-7-26(2,32)8-11-38/h3-6,9,14,16H,7-8,10-13,15,32H2,1-2H3,(H2,31,34)(H,33,37,40)/t16-/m1/s1.
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 571.61 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[6-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118875841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).