N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide

C24H21N7O — CID 137379453

IUPACN,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1
InChIInChI=1S/C24H21N7O/c1-31(2)24(32)21-11-16-3-4-17(12-20(16)29-21)23-25-10-9-22(30-23)28-19-7-5-15(6-8-19)18-13-26-27-14-18/h3-14,29H,1-2H3,(H,26,27)(H,25,28,30)
InChIKeyPQKNVEFRWWFVMD-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.46
Rot. Bonds5

About N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide

N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide (PubChem CID 137379453) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
PubChem CID137379453
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC NameN,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1
InChIInChI=1S/C24H21N7O/c1-31(2)24(32)21-11-16-3-4-17(12-20(16)29-21)23-25-10-9-22(30-23)28-19-7-5-15(6-8-19)18-13-26-27-14-18/h3-14,29H,1-2H3,(H,26,27)(H,25,28,30)
InChIKeyPQKNVEFRWWFVMD-UHFFFAOYSA-N
XLogP4.46
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide (CID 137379453) is N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is PQKNVEFRWWFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-31(2)24(32)21-11-16-3-4-17(12-20(16)29-21)23-25-10-9-22(30-23)28-19-7-5-15(6-8-19)18-13-26-27-14-18/h3-14,29H,1-2H3,(H,26,27)(H,25,28,30).
What are the key properties of N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137379453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).