N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide

C25H27FN10O — CID 78324738

IUPACN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)CN4CCNCC4)nc3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C25H27FN10O/c26-19-4-8-36(15-19)24-17(12-27)11-18(13-31-24)21-3-5-29-25(33-21)32-20-1-2-22(30-14-20)34-23(37)16-35-9-6-28-7-10-35/h1-3,5,11,13-14,19,28H,4,6-10,15-16H2,(H,29,32,33)(H,30,34,37)/t19-/m0/s1
InChIKeyBSILWBIMJYOIMZ-IBGZPJMESA-N
MW502.56 g/mol
LogP1.94
Rot. Bonds7

About N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide

N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide (PubChem CID 78324738) has the molecular formula C25H27FN10O and a molecular weight of 502.56 g/mol. Its IUPAC name is N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide
PubChem CID78324738
Molecular FormulaC25H27FN10O
Molecular Weight502.56 g/mol
Exact Mass502.24
IUPAC NameN-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)CN4CCNCC4)nc3)n2)cnc1N1CC[C@H](F)C1
InChIInChI=1S/C25H27FN10O/c26-19-4-8-36(15-19)24-17(12-27)11-18(13-31-24)21-3-5-29-25(33-21)32-20-1-2-22(30-14-20)34-23(37)16-35-9-6-28-7-10-35/h1-3,5,11,13-14,19,28H,4,6-10,15-16H2,(H,29,32,33)(H,30,34,37)/t19-/m0/s1
InChIKeyBSILWBIMJYOIMZ-IBGZPJMESA-N
XLogP1.94
TPSA134.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.56
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

Darovasertib
CID 118873253
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
4-[6-[(4,4-Dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587341
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-(azetidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873326
2-[4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192864
2-[N-methyl-4-(2-methyl-4-pyridinyl)anilino]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192865
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
4-N-methyl-6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
CID 56948749
1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 67127837
6-(2-piperazin-1-yl-4-pyridinyl)-2-N-pyrazin-2-ylpyridine-2,4-diamine
CID 67127879

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide (CID 78324738) is N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide is N#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)CN4CCNCC4)nc3)n2)cnc1N1CC[C@H](F)C1.
What is the InChIKey of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide?
The InChIKey is BSILWBIMJYOIMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27FN10O/c26-19-4-8-36(15-19)24-17(12-27)11-18(13-31-24)21-3-5-29-25(33-21)32-20-1-2-22(30-14-20)34-23(37)16-35-9-6-28-7-10-35/h1-3,5,11,13-14,19,28H,4,6-10,15-16H2,(H,29,32,33)(H,30,34,37)/t19-/m0/s1.
What are the key properties of N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide?
N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide has a molecular weight of 502.56 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[5-cyano-6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]pyrimidin-2-yl]amino]-2-pyridinyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 78324738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).