N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine

C16H15FN8 — CID 25115962

IUPACN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/t10-/m0/s1
InChIKeySKSNCQVCTOVJTO-JTQLQIEISA-N
MW338.35 g/mol
LogP2.55
Rot. Bonds4

About N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine

N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 25115962) has the molecular formula C16H15FN8 and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID25115962
Molecular FormulaC16H15FN8
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC NameN-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1
InChIInChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/t10-/m0/s1
InChIKeySKSNCQVCTOVJTO-JTQLQIEISA-N
XLogP2.55
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
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N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
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N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine (CID 25115962) is N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine is Cc1cc(-n2cnc3ccc(N[C@@H](C)c4ncc(F)cn4)nc32)n[nH]1.
What is the InChIKey of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is SKSNCQVCTOVJTO-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15FN8/c1-9-5-14(24-23-9)25-8-20-12-3-4-13(22-16(12)25)21-10(2)15-18-6-11(17)7-19-15/h3-8,10H,1-2H3,(H,21,22)(H,23,24)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine?
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 338.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25115962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).