(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine

C15H17ClN6O — CID 175136170

IUPAC(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(Cl)c2n1
InChIInChI=1S/C15H17ClN6O/c1-9-8-23-6-5-22(9)12-7-10(11-3-4-17-21(11)2)13-14(18-12)15(16)20-19-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyVIPBTWHDZQBILR-SECBINFHSA-N
MW332.80 g/mol
LogP2.24
Rot. Bonds2

About (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine

(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine (PubChem CID 175136170) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
PubChem CID175136170
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(Cl)c2n1
InChIInChI=1S/C15H17ClN6O/c1-9-8-23-6-5-22(9)12-7-10(11-3-4-17-21(11)2)13-14(18-12)15(16)20-19-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyVIPBTWHDZQBILR-SECBINFHSA-N
XLogP2.24
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(1H-imidazol-5-yl)-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 156766831
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
iodo-[5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2-methylpyrazol-3-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]phosphane
CID 170222111
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
(Z)-3-imino-1-[2-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1,7-naphthyridin-8-yl]prop-1-en-1-amine
CID 146555770
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451
4-(4-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)-3-methylmorpholine
CID 178015868

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine (CID 175136170) is (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine is C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2n[nH]c(Cl)c2n1.
What is the InChIKey of (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
The InChIKey is VIPBTWHDZQBILR-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-9-8-23-6-5-22(9)12-7-10(11-3-4-17-21(11)2)13-14(18-12)15(16)20-19-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine?
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine has a molecular weight of 332.80 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine is sourced from PubChem (CID 175136170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).