5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one

C19H19N7O — CID 58935844

IUPAC5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(CNc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)cc12
InChIInChI=1S/C19H19N7O/c27-19-14-7-11(1-4-15(14)23-26-19)10-21-17-8-13(5-6-20-17)22-18-9-16(24-25-18)12-2-3-12/h1,4-9,12H,2-3,10H2,(H2,23,26,27)(H3,20,21,22,24,25)
InChIKeyNVFUKALHOISMQH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.21
Rot. Bonds6

About 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one

5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one (PubChem CID 58935844) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
PubChem CID58935844
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2ccc(CNc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)cc12
InChIInChI=1S/C19H19N7O/c27-19-14-7-11(1-4-15(14)23-26-19)10-21-17-8-13(5-6-20-17)22-18-9-16(24-25-18)12-2-3-12/h1,4-9,12H,2-3,10H2,(H2,23,26,27)(H3,20,21,22,24,25)
InChIKeyNVFUKALHOISMQH-UHFFFAOYSA-N
XLogP3.21
TPSA114.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one (CID 58935844) is 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2ccc(CNc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)cc12.
What is the InChIKey of 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?
The InChIKey is NVFUKALHOISMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-19-14-7-11(1-4-15(14)23-26-19)10-21-17-8-13(5-6-20-17)22-18-9-16(24-25-18)12-2-3-12/h1,4-9,12H,2-3,10H2,(H2,23,26,27)(H3,20,21,22,24,25).
What are the key properties of 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one?
5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one has a molecular weight of 361.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]methyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).