N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine

C20H22FN7O — CID 25115732

IUPACN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC[C@H](Nc1ccc2ncn(-c3cc(OC(C)C)n[nH]3)c2n1)c1ccc(F)cn1
InChIInChI=1S/C20H22FN7O/c1-4-14(15-6-5-13(21)10-22-15)24-17-8-7-16-20(25-17)28(11-23-16)18-9-19(27-26-18)29-12(2)3/h5-12,14H,4H2,1-3H3,(H,24,25)(H,26,27)/t14-/m0/s1
InChIKeyPRYJIOXSSHUJTR-AWEZNQCLSA-N
MW395.44 g/mol
LogP4.03
Rot. Bonds7

About N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 25115732) has the molecular formula C20H22FN7O and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID25115732
Molecular FormulaC20H22FN7O
Molecular Weight395.44 g/mol
Exact Mass395.19
IUPAC NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC[C@H](Nc1ccc2ncn(-c3cc(OC(C)C)n[nH]3)c2n1)c1ccc(F)cn1
InChIInChI=1S/C20H22FN7O/c1-4-14(15-6-5-13(21)10-22-15)24-17-8-7-16-20(25-17)28(11-23-16)18-9-19(27-26-18)29-12(2)3/h5-12,14H,4H2,1-3H3,(H,24,25)(H,26,27)/t14-/m0/s1
InChIKeyPRYJIOXSSHUJTR-AWEZNQCLSA-N
XLogP4.03
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (CID 25115732) is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is CC[C@H](Nc1ccc2ncn(-c3cc(OC(C)C)n[nH]3)c2n1)c1ccc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PRYJIOXSSHUJTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN7O/c1-4-14(15-6-5-13(21)10-22-15)24-17-8-7-16-20(25-17)28(11-23-16)18-9-19(27-26-18)29-12(2)3/h5-12,14H,4H2,1-3H3,(H,24,25)(H,26,27)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 395.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25115732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).