2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

C18H22N8 — CID 166774132

IUPAC2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3C[C@H]4CC[C@@H](C3)N4)nc3ncccc23)n[nH]1
InChIInChI=1S/C18H22N8/c1-10-7-15(26-25-10)22-17-14-3-2-6-19-16(14)23-18(24-17)21-13-8-11-4-5-12(9-13)20-11/h2-3,6-7,11-13,20H,4-5,8-9H2,1H3,(H3,19,21,22,23,24,25,26)/t11-,12+,13?
InChIKeyPEFMAWGHUUEWGF-FUNVUKJBSA-N
MW350.43 g/mol
LogP2.49
Rot. Bonds4

About 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine

2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 166774132) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID166774132
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(NC3C[C@H]4CC[C@@H](C3)N4)nc3ncccc23)n[nH]1
InChIInChI=1S/C18H22N8/c1-10-7-15(26-25-10)22-17-14-3-2-6-19-16(14)23-18(24-17)21-13-8-11-4-5-12(9-13)20-11/h2-3,6-7,11-13,20H,4-5,8-9H2,1H3,(H3,19,21,22,23,24,25,26)/t11-,12+,13?
InChIKeyPEFMAWGHUUEWGF-FUNVUKJBSA-N
XLogP2.49
TPSA103.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 166774132) is 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(NC3C[C@H]4CC[C@@H](C3)N4)nc3ncccc23)n[nH]1.
What is the InChIKey of 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is PEFMAWGHUUEWGF-FUNVUKJBSA-N. The full InChI is InChI=1S/C18H22N8/c1-10-7-15(26-25-10)22-17-14-3-2-6-19-16(14)23-18(24-17)21-13-8-11-4-5-12(9-13)20-11/h2-3,6-7,11-13,20H,4-5,8-9H2,1H3,(H3,19,21,22,23,24,25,26)/t11-,12+,13?.
What are the key properties of 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 350.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).