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

C18H17FN8 — CID 25115964

IUPAC3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESC[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1
InChIInChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
InChIKeyYKPNHIXFGPKGEI-JTQLQIEISA-N
MW364.39 g/mol
LogP3.12
Rot. Bonds5

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

3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 25115964) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID25115964
Molecular FormulaC18H17FN8
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine
SMILESC[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1
InChIInChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1
InChIKeyYKPNHIXFGPKGEI-JTQLQIEISA-N
XLogP3.12
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine (CID 25115964) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine is C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is YKPNHIXFGPKGEI-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17FN8/c1-10(17-20-7-12(19)8-21-17)23-15-5-4-13-18(24-15)27(9-22-13)16-6-14(25-26-16)11-2-3-11/h4-11H,2-3H2,1H3,(H,23,24)(H,25,26)/t10-/m0/s1.
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine?
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 364.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25115964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).