7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine

C26H29N7O — CID 170352257

IUPAC7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc(Nc3ccn(C4CCCCO4)n3)c2)cc2c(N)n[nH]c12
InChIInChI=1S/C26H29N7O/c1-26(2,3)10-7-18-14-19(15-20-24(18)30-31-25(20)27)17-8-11-28-22(16-17)29-21-9-12-33(32-21)23-6-4-5-13-34-23/h8-9,11-12,14-16,23H,4-6,13H2,1-3H3,(H3,27,30,31)(H,28,29,32)
InChIKeyGVJDSFBBBKXBMH-UHFFFAOYSA-N
MW455.57 g/mol
LogP5.24
Rot. Bonds4

About 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine

7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 170352257) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine
PubChem CID170352257
Molecular FormulaC26H29N7O
Molecular Weight455.57 g/mol
Exact Mass455.24
IUPAC Name7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine
SMILESCC(C)(C)C#Cc1cc(-c2ccnc(Nc3ccn(C4CCCCO4)n3)c2)cc2c(N)n[nH]c12
InChIInChI=1S/C26H29N7O/c1-26(2,3)10-7-18-14-19(15-20-24(18)30-31-25(20)27)17-8-11-28-22(16-17)29-21-9-12-33(32-21)23-6-4-5-13-34-23/h8-9,11-12,14-16,23H,4-6,13H2,1-3H3,(H3,27,30,31)(H,28,29,32)
InChIKeyGVJDSFBBBKXBMH-UHFFFAOYSA-N
XLogP5.24
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-amino-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-5-yl]-2-pyridinyl]-3-phenylurea
CID 170352100
5-[2-(cyclohexylmethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170352536
5-(2-amino-4-pyridinyl)-7-[2-(oxan-4-yl)ethynyl]-1H-indazol-3-amine
CID 170352181
5-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-7-yl)-7-(3,3-dimethylbut-1-ynyl)-1H-indazol-3-amine
CID 170351888
1-[2-[3-amino-5-[2-(oxetan-3-ylamino)-4-pyridinyl]-1H-indazol-7-yl]ethynyl]cyclopentan-1-ol
CID 170352325
methyl N-[4-[3-amino-7-[2-(1-hydroxycyclopentyl)ethynyl]-1H-indazol-5-yl]-2-pyridinyl]carbamate
CID 170422445
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
3-chloro-1-(oxan-2-yl)pyrazole
CID 155895541
tert-butyl 4-[3-[[4-[3-cyano-4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 86729198
5-[2-(propan-2-ylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170352224
2-bromo-5-[1-(oxan-2-yl)pyrazol-3-yl]aniline
CID 169085949
1-N-methyl-4-[2-[1-(oxan-2-yl)pyrazol-4-yl]ethynyl]-2,7-naphthyridine-1,6-diamine
CID 178122652

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine (CID 170352257) is 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine is CC(C)(C)C#Cc1cc(-c2ccnc(Nc3ccn(C4CCCCO4)n3)c2)cc2c(N)n[nH]c12.
What is the InChIKey of 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is GVJDSFBBBKXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-26(2,3)10-7-18-14-19(15-20-24(18)30-31-25(20)27)17-8-11-28-22(16-17)29-21-9-12-33(32-21)23-6-4-5-13-34-23/h8-9,11-12,14-16,23H,4-6,13H2,1-3H3,(H3,27,30,31)(H,28,29,32).
What are the key properties of 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine?
7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 455.57 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbut-1-ynyl)-5-[2-[[1-(oxan-2-yl)pyrazol-3-yl]amino]-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 170352257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).