4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine

C21H21N7 — CID 133409203

IUPAC4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CCCc4c3cnn4Cc3ccccc3)ncnc2n1
InChIInChI=1S/C21H21N7/c22-19-10-9-15-20(23-13-24-21(15)27-19)26-17-7-4-8-18-16(17)11-25-28(18)12-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,17H,4,7-8,12H2,(H3,22,23,24,26,27)
InChIKeyARJFABJJIGJUCT-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.34
Rot. Bonds4

About 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409203) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409203
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NC3CCCc4c3cnn4Cc3ccccc3)ncnc2n1
InChIInChI=1S/C21H21N7/c22-19-10-9-15-20(23-13-24-21(15)27-19)26-17-7-4-8-18-16(17)11-25-28(18)12-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,17H,4,7-8,12H2,(H3,22,23,24,26,27)
InChIKeyARJFABJJIGJUCT-UHFFFAOYSA-N
XLogP3.34
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32882998
4-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133435709
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56575257
4-N-cyclohexylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407209
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
5-[[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 94410190
(4S)-1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 94410192
2-[[[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methylidene]propanedinitrile
CID 39323178
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
4-N-(3-phenylcyclobutyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 91646510

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409203) is 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NC3CCCc4c3cnn4Cc3ccccc3)ncnc2n1.
What is the InChIKey of 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is ARJFABJJIGJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c22-19-10-9-15-20(23-13-24-21(15)27-19)26-17-7-4-8-18-16(17)11-25-28(18)12-14-5-2-1-3-6-14/h1-3,5-6,9-11,13,17H,4,7-8,12H2,(H3,22,23,24,26,27).
What are the key properties of 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 371.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).