N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

C18H20N6O2 — CID 171839946

IUPACN-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCn1nc(-c2cnn([C@@H]3CCOC3)c2)c2cc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C18H20N6O2/c1-23-15-8-19-16(21-18(25)11-2-3-11)6-14(15)17(22-23)12-7-20-24(9-12)13-4-5-26-10-13/h6-9,11,13H,2-5,10H2,1H3,(H,19,21,25)/t13-/m1/s1
InChIKeyXSCJJFDYJNLKQE-CYBMUJFWSA-N
MW352.40 g/mol
LogP2.14
Rot. Bonds4

About N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide

N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 171839946) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
PubChem CID171839946
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
SMILESCn1nc(-c2cnn([C@@H]3CCOC3)c2)c2cc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C18H20N6O2/c1-23-15-8-19-16(21-18(25)11-2-3-11)6-14(15)17(22-23)12-7-20-24(9-12)13-4-5-26-10-13/h6-9,11,13H,2-5,10H2,1H3,(H,19,21,25)/t13-/m1/s1
InChIKeyXSCJJFDYJNLKQE-CYBMUJFWSA-N
XLogP2.14
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-methoxy-3-[1-[(3S,4S)-4-methoxyoxolan-3-yl]pyrazol-4-yl]phenyl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839908
N-[3-[2-[(1S)-1-hydroxyethyl]-1-methylimidazol-4-yl]-1-methylpyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide
CID 171839960
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(oxan-4-yl)pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170965738
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
4-[3-[5-(cyclopropanecarbonylamino)-1-methylpyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]-N,N-dimethylbenzamide
CID 171839968
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide (CID 171839946) is N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is Cn1nc(-c2cnn([C@@H]3CCOC3)c2)c2cc(NC(=O)C3CC3)ncc21.
What is the InChIKey of N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
The InChIKey is XSCJJFDYJNLKQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23-15-8-19-16(21-18(25)11-2-3-11)6-14(15)17(22-23)12-7-20-24(9-12)13-4-5-26-10-13/h6-9,11,13H,2-5,10H2,1H3,(H,19,21,25)/t13-/m1/s1.
What are the key properties of N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide?
N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[3,4-c]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171839946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).