3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide

C25H29F3N10O2 — CID 118873178

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ncc3C(F)(F)F)cnc2N)CC1
InChIInChI=1S/C25H29F3N10O2/c1-24(30)4-7-37(8-5-24)17-3-2-6-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(25(26,27)28)13-33-23(35-18)38-9-11-40-12-10-38/h2-3,6,13-14H,4-5,7-12,30H2,1H3,(H2,29,32)(H,31,36,39)
InChIKeyBPPBYLMSKBUXJS-UHFFFAOYSA-N
MW558.57 g/mol
LogP2.34
Rot. Bonds5

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide (PubChem CID 118873178) has the molecular formula C25H29F3N10O2 and a molecular weight of 558.57 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
PubChem CID118873178
Molecular FormulaC25H29F3N10O2
Molecular Weight558.57 g/mol
Exact Mass558.24
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ncc3C(F)(F)F)cnc2N)CC1
InChIInChI=1S/C25H29F3N10O2/c1-24(30)4-7-37(8-5-24)17-3-2-6-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(25(26,27)28)13-33-23(35-18)38-9-11-40-12-10-38/h2-3,6,13-14H,4-5,7-12,30H2,1H3,(H2,29,32)(H,31,36,39)
InChIKeyBPPBYLMSKBUXJS-UHFFFAOYSA-N
XLogP2.34
TPSA161.30 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.57
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
6-cyclopropyl-N-[2-[(3-methyloxetan-3-yl)carbamoyl]-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548297
6-cyclopropyl-N-[2-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548209
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873224
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-morpholin-4-ylisoquinolin-1-yl)pyrazine-2-carboxamide
CID 118873278
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873326
6-[3-Fluoro-4-(trifluoromethyl)phenyl]-3-({2-[3-(4-methylpiperazin-1-yl)propoxy]pyrimidin-5-yl}amino)pyrazine-2-carboxamide
CID 71596999
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
[4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244337
[5-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244568
[5-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244941

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide (CID 118873178) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N4CCOCC4)ncc3C(F)(F)F)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is BPPBYLMSKBUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N10O2/c1-24(30)4-7-37(8-5-24)17-3-2-6-31-21(17)36-22(39)19-20(29)32-14-16(34-19)18-15(25(26,27)28)13-33-23(35-18)38-9-11-40-12-10-38/h2-3,6,13-14H,4-5,7-12,30H2,1H3,(H2,29,32)(H,31,36,39).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 558.57 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 11 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-[2-morpholin-4-yl-5-(trifluoromethyl)pyrimidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).