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

C18H20N8O — CID 59627006

IUPAC3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncccn4)nc32)[nH]n1
InChIInChI=1S/C18H20N8O/c1-11(2)27-16-9-15(24-25-16)26-10-21-13-5-6-14(23-18(13)26)22-12(3)17-19-7-4-8-20-17/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1
InChIKeyZKOHMZURAVZTSH-LBPRGKRZSA-N
MW364.41 g/mol
LogP2.89
Rot. Bonds6

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

3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine (PubChem CID 59627006) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine
PubChem CID59627006
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine
SMILESCC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncccn4)nc32)[nH]n1
InChIInChI=1S/C18H20N8O/c1-11(2)27-16-9-15(24-25-16)26-10-21-13-5-6-14(23-18(13)26)22-12(3)17-19-7-4-8-20-17/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1
InChIKeyZKOHMZURAVZTSH-LBPRGKRZSA-N
XLogP2.89
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine (CID 59627006) is 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine is CC(C)Oc1cc(-n2cnc3ccc(N[C@@H](C)c4ncccn4)nc32)[nH]n1.
What is the InChIKey of 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ZKOHMZURAVZTSH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N8O/c1-11(2)27-16-9-15(24-25-16)26-10-21-13-5-6-14(23-18(13)26)22-12(3)17-19-7-4-8-20-17/h4-12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1.
What are the key properties of 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine?
3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine has a molecular weight of 364.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxy-1H-pyrazol-5-yl)-N-[(1S)-1-pyrimidin-2-ylethyl]imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 59627006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).