1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide

C22H21N7O — CID 122685405

IUPAC1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCCN2
InChIInChI=1S/C22H21N7O/c23-19(30)15-8-4-10-18-17(15)13-26-29(18)22-27-20-16(9-5-11-24-20)21(28-22)25-12-14-6-2-1-3-7-14/h1-4,6-8,10,13H,5,9,11-12H2,(H2,23,30)(H2,24,25,27,28)
InChIKeyAQSUBZHWJIHLQM-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide

1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide (PubChem CID 122685405) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
PubChem CID122685405
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide
SMILESNC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCCN2
InChIInChI=1S/C22H21N7O/c23-19(30)15-8-4-10-18-17(15)13-26-29(18)22-27-20-16(9-5-11-24-20)21(28-22)25-12-14-6-2-1-3-7-14/h1-4,6-8,10,13H,5,9,11-12H2,(H2,23,30)(H2,24,25,27,28)
InChIKeyAQSUBZHWJIHLQM-UHFFFAOYSA-N
XLogP2.88
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240020
1-[4-(benzylamino)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidin-2-yl]indazole-4-carboxamide
CID 118240054
1-[4-(benzylamino)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-2-yl]-2-methylindole-4-carboxamide
CID 118239588
1-[4-[(3-fluorophenyl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 122685385
1-[4-(benzylamino)-5-methoxy-6-methylpyrimidin-2-yl]indazole-4-carboxamide
CID 118141161
1-[4-(thiophen-2-ylmethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]indazole-4-carboxamide
CID 118239636
3-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]-2-methyl-1-benzofuran-7-carboxamide
CID 118239852
[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-2-yl]indazol-4-yl]boronic acid
CID 145205106
1-[4-(benzylamino)-6,7-dihydro-5H-pyrrolo[3,2-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
CID 122685178
[3-[[[2-(4-carbamoylbenzotriazol-1-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]boronic acid
CID 145205247
N-[[1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]indazol-4-yl]methyl]-2-methylpropanamide
CID 118240431
1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-6-fluoroindazole-4-carboxamide
CID 118240673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide?
The IUPAC name of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide (CID 122685405) is 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide.
What is the SMILES notation for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide?
The canonical SMILES for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide is NC(=O)c1cccc2c1cnn2-c1nc2c(c(NCc3ccccc3)n1)CCCN2.
What is the InChIKey of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide?
The InChIKey is AQSUBZHWJIHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-19(30)15-8-4-10-18-17(15)13-26-29(18)22-27-20-16(9-5-11-24-20)21(28-22)25-12-14-6-2-1-3-7-14/h1-4,6-8,10,13H,5,9,11-12H2,(H2,23,30)(H2,24,25,27,28).
What are the key properties of 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide?
1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-yl]indazole-4-carboxamide is sourced from PubChem (CID 122685405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).