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

C25H25N7 — CID 155664047

IUPACN-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCNCC3)c3ccccc32)n1
InChIInChI=1S/C25H25N7/c1-16-12-24(29-19-6-7-22-18(13-19)14-27-31-22)30-25(28-16)32-15-21(17-8-10-26-11-9-17)20-4-2-3-5-23(20)32/h2-7,12-15,17,26H,8-11H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyLPXGZIIQBOEWGT-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.82
Rot. Bonds4

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

N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 155664047) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID155664047
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC NameN-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCNCC3)c3ccccc32)n1
InChIInChI=1S/C25H25N7/c1-16-12-24(29-19-6-7-22-18(13-19)14-27-31-22)30-25(28-16)32-15-21(17-8-10-26-11-9-17)20-4-2-3-5-23(20)32/h2-7,12-15,17,26H,8-11H2,1H3,(H,27,31)(H,28,29,30)
InChIKeyLPXGZIIQBOEWGT-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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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 155664047) is N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine is Cc1cc(Nc2ccc3[nH]ncc3c2)nc(-n2cc(C3CCNCC3)c3ccccc32)n1.
What is the InChIKey of N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is LPXGZIIQBOEWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-16-12-24(29-19-6-7-22-18(13-19)14-27-31-22)30-25(28-16)32-15-21(17-8-10-26-11-9-17)20-4-2-3-5-23(20)32/h2-7,12-15,17,26H,8-11H2,1H3,(H,27,31)(H,28,29,30).
What are the key properties of N-[6-methyl-2-(3-piperidin-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-methyl-2-(3-piperidin-4-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-4-ylindol-1-yl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 155664047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).