N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine

C25H18N8 — CID 137387374

IUPACN-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine
SMILESc1cc(-c2cc3ccc(-c4nccc(Nc5ccc(-c6cn[nH]c6)cc5)n4)cc3[nH]2)ncn1
InChIInChI=1S/C25H18N8/c1-2-18(12-22-17(1)11-23(32-22)21-7-9-26-15-28-21)25-27-10-8-24(33-25)31-20-5-3-16(4-6-20)19-13-29-30-14-19/h1-15,32H,(H,29,30)(H,27,31,33)
InChIKeyBMUBWOSOMLWTCS-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.22
Rot. Bonds5

About N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine

N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine (PubChem CID 137387374) has the molecular formula C25H18N8 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine
PubChem CID137387374
Molecular FormulaC25H18N8
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC NameN-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine
SMILESc1cc(-c2cc3ccc(-c4nccc(Nc5ccc(-c6cn[nH]c6)cc5)n4)cc3[nH]2)ncn1
InChIInChI=1S/C25H18N8/c1-2-18(12-22-17(1)11-23(32-22)21-7-9-26-15-28-21)25-27-10-8-24(33-25)31-20-5-3-16(4-6-20)19-13-29-30-14-19/h1-15,32H,(H,29,30)(H,27,31,33)
InChIKeyBMUBWOSOMLWTCS-UHFFFAOYSA-N
XLogP5.22
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1-methylpyrazol-4-yl)-1H-indol-6-yl]-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387808
6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379460
2-(2-pyrazol-1-yl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387442
N-(3-iodo-4-pyridinyl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137381693
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379449
N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 153159821
N-[5-(1H-pyrazol-4-yl)-2-pyridinyl]-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-amine
CID 137387265
[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-(3-pyridin-4-ylpiperidin-1-yl)methanone
CID 137381745
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387475
2,6-diazaspiro[3.3]heptan-2-yl-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137382104
(2-chloroimidazol-1-yl)-[6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387474
6-[4-[3-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carbaldehyde
CID 167203011

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine?
The IUPAC name of N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine (CID 137387374) is N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine?
The canonical SMILES for N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine is c1cc(-c2cc3ccc(-c4nccc(Nc5ccc(-c6cn[nH]c6)cc5)n4)cc3[nH]2)ncn1.
What is the InChIKey of N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine?
The InChIKey is BMUBWOSOMLWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N8/c1-2-18(12-22-17(1)11-23(32-22)21-7-9-26-15-28-21)25-27-10-8-24(33-25)31-20-5-3-16(4-6-20)19-13-29-30-14-19/h1-15,32H,(H,29,30)(H,27,31,33).
What are the key properties of N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine?
N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine has a molecular weight of 430.48 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrazol-4-yl)phenyl]-2-(2-pyrimidin-4-yl-1H-indol-6-yl)pyrimidin-4-amine is sourced from PubChem (CID 137387374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).