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

C19H24N6O2 — CID 148580603

IUPAC(3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1ccc2[nH]nc(-c3ccn(C4CCCCO4)n3)c2n1
InChIInChI=1S/C19H24N6O2/c1-13-12-26-11-9-24(13)16-6-5-14-18(20-16)19(22-21-14)15-7-8-25(23-15)17-4-2-3-10-27-17/h5-8,13,17H,2-4,9-12H2,1H3,(H,21,22)/t13-,17?/m1/s1
InChIKeyMYQZNIFVWHRASK-FWJOYPJLSA-N
MW368.44 g/mol
LogP2.75
Rot. Bonds3

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

(3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine (PubChem CID 148580603) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine
PubChem CID148580603
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name(3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine
SMILESC[C@@H]1COCCN1c1ccc2[nH]nc(-c3ccn(C4CCCCO4)n3)c2n1
InChIInChI=1S/C19H24N6O2/c1-13-12-26-11-9-24(13)16-6-5-14-18(20-16)19(22-21-14)15-7-8-25(23-15)17-4-2-3-10-27-17/h5-8,13,17H,2-4,9-12H2,1H3,(H,21,22)/t13-,17?/m1/s1
InChIKeyMYQZNIFVWHRASK-FWJOYPJLSA-N
XLogP2.75
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine (CID 148580603) is (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine is C[C@@H]1COCCN1c1ccc2[nH]nc(-c3ccn(C4CCCCO4)n3)c2n1.
What is the InChIKey of (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine?
The InChIKey is MYQZNIFVWHRASK-FWJOYPJLSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-12-26-11-9-24(13)16-6-5-14-18(20-16)19(22-21-14)15-7-8-25(23-15)17-4-2-3-10-27-17/h5-8,13,17H,2-4,9-12H2,1H3,(H,21,22)/t13-,17?/m1/s1.
What are the key properties of (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine?
(3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine has a molecular weight of 368.44 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[3-[1-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 148580603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).