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

C25H21N7O — CID 137379449

IUPACN-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1
InChIInChI=1S/C25H21N7O/c33-25(30-20-7-8-20)22-11-16-1-2-17(12-21(16)31-22)24-26-10-9-23(32-24)29-19-5-3-15(4-6-19)18-13-27-28-14-18/h1-6,9-14,20,31H,7-8H2,(H,27,28)(H,30,33)(H,26,29,32)
InChIKeyDXOFBBFEQLVTJN-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.65
Rot. Bonds6

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

N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide (PubChem CID 137379449) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
PubChem CID137379449
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1
InChIInChI=1S/C25H21N7O/c33-25(30-20-7-8-20)22-11-16-1-2-17(12-21(16)31-22)24-26-10-9-23(32-24)29-19-5-3-15(4-6-19)18-13-27-28-14-18/h1-6,9-14,20,31H,7-8H2,(H,27,28)(H,30,33)(H,26,29,32)
InChIKeyDXOFBBFEQLVTJN-UHFFFAOYSA-N
XLogP4.65
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide (CID 137379449) is N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide is O=C(NC1CC1)c1cc2ccc(-c3nccc(Nc4ccc(-c5cn[nH]c5)cc4)n3)cc2[nH]1.
What is the InChIKey of N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is DXOFBBFEQLVTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c33-25(30-20-7-8-20)22-11-16-1-2-17(12-21(16)31-22)24-26-10-9-23(32-24)29-19-5-3-15(4-6-19)18-13-27-28-14-18/h1-6,9-14,20,31H,7-8H2,(H,27,28)(H,30,33)(H,26,29,32).
What are the key properties of N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide?
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137379449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).