2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol

C21H28N6O3 — CID 146910270

IUPAC2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCOC(C)(C)C2)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H28N6O3/c1-14-12-29-9-7-26(14)18-10-16(21(28)5-8-30-20(2,3)13-21)15-11-23-27(19(15)24-18)17-4-6-22-25-17/h4,6,10-11,14,28H,5,7-9,12-13H2,1-3H3,(H,22,25)/t14-,21?/m1/s1
InChIKeyABEDZDGCBCMFHU-CKAQCJTGSA-N
MW412.49 g/mol
LogP2.15
Rot. Bonds3

About 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol

2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol (PubChem CID 146910270) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol
PubChem CID146910270
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC Name2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol
SMILESC[C@@H]1COCCN1c1cc(C2(O)CCOC(C)(C)C2)c2cnn(-c3ccn[nH]3)c2n1
InChIInChI=1S/C21H28N6O3/c1-14-12-29-9-7-26(14)18-10-16(21(28)5-8-30-20(2,3)13-21)15-11-23-27(19(15)24-18)17-4-6-22-25-17/h4,6,10-11,14,28H,5,7-9,12-13H2,1-3H3,(H,22,25)/t14-,21?/m1/s1
InChIKeyABEDZDGCBCMFHU-CKAQCJTGSA-N
XLogP2.15
TPSA101.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol (CID 146910270) is 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol is C[C@@H]1COCCN1c1cc(C2(O)CCOC(C)(C)C2)c2cnn(-c3ccn[nH]3)c2n1.
What is the InChIKey of 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol?
The InChIKey is ABEDZDGCBCMFHU-CKAQCJTGSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-14-12-29-9-7-26(14)18-10-16(21(28)5-8-30-20(2,3)13-21)15-11-23-27(19(15)24-18)17-4-6-22-25-17/h4,6,10-11,14,28H,5,7-9,12-13H2,1-3H3,(H,22,25)/t14-,21?/m1/s1.
What are the key properties of 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol?
2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol has a molecular weight of 412.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]oxan-4-ol is sourced from PubChem (CID 146910270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).