(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine

C21H23N7O — CID 151175498

IUPAC(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nn(C)c12
InChIInChI=1S/C21H23N7O/c1-13-12-29-10-9-28(13)18-11-16(15-5-4-7-22-14(15)2)21-20(24-18)19(26-27(21)3)17-6-8-23-25-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeyNDEKGCBGROQBIM-CYBMUJFWSA-N
MW389.46 g/mol
LogP2.95
Rot. Bonds3

About (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine

(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine (PubChem CID 151175498) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
PubChem CID151175498
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nn(C)c12
InChIInChI=1S/C21H23N7O/c1-13-12-29-10-9-28(13)18-11-16(15-5-4-7-22-14(15)2)21-20(24-18)19(26-27(21)3)17-6-8-23-25-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,25)/t13-/m1/s1
InChIKeyNDEKGCBGROQBIM-CYBMUJFWSA-N
XLogP2.95
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-methyl-4-[1-methyl-7-(oxolan-3-yl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine
CID 156699437
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
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CID 134446437
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CID 146230357
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
(3R)-3-methyl-4-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869658
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine (CID 151175498) is (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine is Cc1ncccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nn(C)c12.
What is the InChIKey of (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine?
The InChIKey is NDEKGCBGROQBIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-12-29-10-9-28(13)18-11-16(15-5-4-7-22-14(15)2)21-20(24-18)19(26-27(21)3)17-6-8-23-25-17/h4-8,11,13H,9-10,12H2,1-3H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine?
(3R)-3-methyl-4-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine has a molecular weight of 389.46 g/mol, XLogP of 2.95, 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-[1-methyl-7-(2-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 151175498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).