1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine

C25H31N7 — CID 167185493

IUPAC1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCNc1ccc(-c2nc(N3CCC(N)CC3)ncc2C2=CC3C(=CN(C)N3C)C=C2)cc1
InChIInChI=1S/C25H31N7/c1-27-21-8-6-17(7-9-21)24-22(15-28-25(29-24)32-12-10-20(26)11-13-32)18-4-5-19-16-30(2)31(3)23(19)14-18/h4-9,14-16,20,23,27H,10-13,26H2,1-3H3
InChIKeyDXSGWVSNMNURJE-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.11
Rot. Bonds4

About 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine

1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine (PubChem CID 167185493) has the molecular formula C25H31N7 and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine
PubChem CID167185493
Molecular FormulaC25H31N7
Molecular Weight429.57 g/mol
Exact Mass429.26
IUPAC Name1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine
SMILESCNc1ccc(-c2nc(N3CCC(N)CC3)ncc2C2=CC3C(=CN(C)N3C)C=C2)cc1
InChIInChI=1S/C25H31N7/c1-27-21-8-6-17(7-9-21)24-22(15-28-25(29-24)32-12-10-20(26)11-13-32)18-4-5-19-16-30(2)31(3)23(19)14-18/h4-9,14-16,20,23,27H,10-13,26H2,1-3H3
InChIKeyDXSGWVSNMNURJE-UHFFFAOYSA-N
XLogP3.11
TPSA73.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

1-[4-(4-aminophenyl)-5-(1-methylpyrazolo[4,5-b]pyridin-5-yl)pyrimidin-2-yl]piperidin-4-amine
CID 123668447
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]benzonitrile
CID 122621730
1-(8-methyl-5H-indeno[1,2-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278636
1-(8,8-dimethyl-6,7-dihydro-5H-quinazolin-2-yl)piperidin-4-amine
CID 103278609
1-[4-(4-amino-3-fluorophenyl)-5-(2,3,7-trimethyl-6,7-dihydroindazol-5-yl)pyrimidin-2-yl]piperidin-4-amine
CID 123910325
4-[5-(2,3-dimethyl-1,3,3a,7a-tetrahydroindazol-5-yl)-2-piperazin-1-ylpyrimidin-4-yl]-2-fluoroaniline
CID 123930426
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
1-[4-(4-aminophenyl)-5-(1,4-dimethyl-5H-pyrazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-yl]piperidin-4-amine
CID 123648611
1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine
CID 103278561
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine (CID 167185493) is 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine is CNc1ccc(-c2nc(N3CCC(N)CC3)ncc2C2=CC3C(=CN(C)N3C)C=C2)cc1.
What is the InChIKey of 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is DXSGWVSNMNURJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7/c1-27-21-8-6-17(7-9-21)24-22(15-28-25(29-24)32-12-10-20(26)11-13-32)18-4-5-19-16-30(2)31(3)23(19)14-18/h4-9,14-16,20,23,27H,10-13,26H2,1-3H3.
What are the key properties of 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine?
1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 429.57 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2-dimethyl-7aH-indazol-6-yl)-4-[4-(methylamino)phenyl]pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 167185493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).