N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine

C25H25N7 — CID 155664048

IUPACN-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCCNC3)c3ccccc32)n1
InChIInChI=1S/C25H25N7/c1-16-11-24(29-19-8-9-22-18(12-19)14-27-31-22)30-25(28-16)32-15-21(17-5-4-10-26-13-17)20-6-2-3-7-23(20)32/h2-3,6-9,11-12,14-15,17,26H,4-5,10,13H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyLXNDJCJXMHBUOG-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.82
Rot. Bonds4

About N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 155664048) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID155664048
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC NameN-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCCNC3)c3ccccc32)n1
InChIInChI=1S/C25H25N7/c1-16-11-24(29-19-8-9-22-18(12-19)14-27-31-22)30-25(28-16)32-15-21(17-5-4-10-26-13-17)20-6-2-3-7-23(20)32/h2-3,6-9,11-12,14-15,17,26H,4-5,10,13H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyLXNDJCJXMHBUOG-UHFFFAOYSA-N
XLogP4.82
TPSA83.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 155664047
N-[2-(3,6-diazabicyclo[3.2.2]nonan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 154961857
N-[2-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 150707011
N-[2-(2,7-diazaspiro[3.4]octan-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
CID 151694888
5-pyrrolidin-3-yl-1H-indazole
CID 82405322
1-[(4-methylphenyl)methyl]-3-piperidin-3-ylindole
CID 84612316
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-(4-methylphenyl)-6-phenyl-2-piperidin-3-ylpyrimidin-4-amine
CID 156544080
6-methyl-2-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 125027098
5-(2-cyclopropyl-4-methylimidazol-1-yl)-1H-indazole
CID 172763000
1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211
N-(4-fluorophenyl)-6-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-amine;hydrochloride
CID 122624110

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 155664048) is N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCCNC3)c3ccccc32)n1.
What is the InChIKey of N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is LXNDJCJXMHBUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-16-11-24(29-19-8-9-22-18(12-19)14-27-31-22)30-25(28-16)32-15-21(17-5-4-10-26-13-17)20-6-2-3-7-23(20)32/h2-3,6-9,11-12,14-15,17,26H,4-5,10,13H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 423.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-(3-piperidin-3-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 155664048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).