(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine

C17H22N6O — CID 150543590

IUPAC(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine
SMILESCC(C)n1nc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)ccc21
InChIInChI=1S/C17H22N6O/c1-11(2)23-14-4-5-15(22-8-9-24-10-12(22)3)19-17(14)16(21-23)13-6-7-18-20-13/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIGJZMXRTZDBMMW-GFCCVEGCSA-N
MW326.40 g/mol
LogP2.63
Rot. Bonds3

About (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine

(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine (PubChem CID 150543590) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine
PubChem CID150543590
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine
SMILESCC(C)n1nc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)ccc21
InChIInChI=1S/C17H22N6O/c1-11(2)23-14-4-5-15(22-8-9-24-10-12(22)3)19-17(14)16(21-23)13-6-7-18-20-13/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIGJZMXRTZDBMMW-GFCCVEGCSA-N
XLogP2.63
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine (CID 150543590) is (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine is CC(C)n1nc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)ccc21.
What is the InChIKey of (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The InChIKey is IGJZMXRTZDBMMW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N6O/c1-11(2)23-14-4-5-15(22-8-9-24-10-12(22)3)19-17(14)16(21-23)13-6-7-18-20-13/h4-7,11-12H,8-10H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine?
(3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine has a molecular weight of 326.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[1-propan-2-yl-3-(1H-pyrazol-5-yl)pyrazolo[4,3-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 150543590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).