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

C19H19ClFN7O — CID 25115733

IUPAC6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(-n2cnc3cc(Cl)c(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C19H19ClFN7O/c1-10(2)29-17-7-16(26-27-17)28-9-23-15-6-13(20)18(25-19(15)28)24-11(3)14-5-4-12(21)8-22-14/h4-11H,1-3H3,(H,24,25)(H,26,27)/t11-/m0/s1
InChIKeyDNRJRDDATFHQGP-NSHDSACASA-N
MW415.86 g/mol
LogP4.29
Rot. Bonds6

About 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine

6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (PubChem CID 25115733) has the molecular formula C19H19ClFN7O and a molecular weight of 415.86 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
PubChem CID25115733
Molecular FormulaC19H19ClFN7O
Molecular Weight415.86 g/mol
Exact Mass415.13
IUPAC Name6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(-n2cnc3cc(Cl)c(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1
InChIInChI=1S/C19H19ClFN7O/c1-10(2)29-17-7-16(26-27-17)28-9-23-15-6-13(20)18(25-19(15)28)24-11(3)14-5-4-12(21)8-22-14/h4-11H,1-3H3,(H,24,25)(H,26,27)/t11-/m0/s1
InChIKeyDNRJRDDATFHQGP-NSHDSACASA-N
XLogP4.29
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine (CID 25115733) is 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is CC(C)Oc1cc(-n2cnc3cc(Cl)c(N[C@@H](C)c4ccc(F)cn4)nc32)[nH]n1.
What is the InChIKey of 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
The InChIKey is DNRJRDDATFHQGP-NSHDSACASA-N. The full InChI is InChI=1S/C19H19ClFN7O/c1-10(2)29-17-7-16(26-27-17)28-9-23-15-6-13(20)18(25-19(15)28)24-11(3)14-5-4-12(21)8-22-14/h4-11H,1-3H3,(H,24,25)(H,26,27)/t11-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine?
6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine has a molecular weight of 415.86 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-3-(3-propan-2-yloxy-1H-pyrazol-5-yl)imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 25115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).