4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

C22H27FN10O2 — CID 59548388

IUPAC4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1nc(N)nc(-c2cc(CN3CCN(C(=O)N(C)C)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1
InChIInChI=1S/C22H27FN10O2/c1-13-27-19(30-21(24)28-13)16-8-14(12-32-4-6-33(7-5-32)22(35)31(2)3)10-25-18(16)29-15-9-17(23)20(34)26-11-15/h8-11H,4-7,12H2,1-3H3,(H,25,29)(H,26,34)(H2,24,27,28,30)
InChIKeyPUBMSBCYCLFVRU-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.19
Rot. Bonds5

About 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 59548388) has the molecular formula C22H27FN10O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID59548388
Molecular FormulaC22H27FN10O2
Molecular Weight482.52 g/mol
Exact Mass482.23
IUPAC Name4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCc1nc(N)nc(-c2cc(CN3CCN(C(=O)N(C)C)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1
InChIInChI=1S/C22H27FN10O2/c1-13-27-19(30-21(24)28-13)16-8-14(12-32-4-6-33(7-5-32)22(35)31(2)3)10-25-18(16)29-15-9-17(23)20(34)26-11-15/h8-11H,4-7,12H2,1-3H3,(H,25,29)(H,26,34)(H2,24,27,28,30)
InChIKeyPUBMSBCYCLFVRU-UHFFFAOYSA-N
XLogP1.19
TPSA149.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide with MolForge

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Related Compounds

Palbociclib
CID 5330286
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Palbociclib hydrochloride
CID 11431660
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
8-cyclopropyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330260
8-Cyclopentyl-2-(pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330261
Pyrido-[2,3-d]-pyrimidin-7-one 20
CID 5330262
8-cyclohexyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330263
6-bromo-8-cyclopentyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330264
8-cyclopentyl-6-fluoro-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330265
Pyrido-[2,3-d]-pyrimidin-7-one 23
CID 5330266

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 59548388) is 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is Cc1nc(N)nc(-c2cc(CN3CCN(C(=O)N(C)C)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1.
What is the InChIKey of 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is PUBMSBCYCLFVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN10O2/c1-13-27-19(30-21(24)28-13)16-8-14(12-32-4-6-33(7-5-32)22(35)31(2)3)10-25-18(16)29-15-9-17(23)20(34)26-11-15/h8-11H,4-7,12H2,1-3H3,(H,25,29)(H,26,34)(H2,24,27,28,30).
What are the key properties of 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-oxo-1H-pyridin-3-yl)amino]-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 59548388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).