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

C25H23N7O2 — CID 137379458

IUPAC6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1Nc1ccnc(-c2ccc3cc(C(=O)N(C)C)[nH]c3c2)n1
InChIInChI=1S/C25H23N7O2/c1-32(2)25(33)21-10-16-4-5-17(11-20(16)29-21)24-26-9-8-23(31-24)30-19-7-6-15(12-22(19)34-3)18-13-27-28-14-18/h4-14,29H,1-3H3,(H,27,28)(H,26,30,31)
InChIKeyBKDCZPSLQBCYOA-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.47
Rot. Bonds6

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

6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 137379458) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID137379458
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1Nc1ccnc(-c2ccc3cc(C(=O)N(C)C)[nH]c3c2)n1
InChIInChI=1S/C25H23N7O2/c1-32(2)25(33)21-10-16-4-5-17(11-20(16)29-21)24-26-9-8-23(31-24)30-19-7-6-15(12-22(19)34-3)18-13-27-28-14-18/h4-14,29H,1-3H3,(H,27,28)(H,26,30,31)
InChIKeyBKDCZPSLQBCYOA-UHFFFAOYSA-N
XLogP4.47
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[2-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137379393
6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379460
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379449
[(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
N-(3-iodo-4-pyridinyl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137381693
N-(1-methylpyrrolidin-3-yl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379422
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-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-(3-pyridin-4-ylpiperidin-1-yl)methanone
CID 137381745
N-(1-methoxypropan-2-yl)-N-methyl-6-[4-[[(2E,4Z)-6-(1H-pyrazol-4-yl)hepta-2,4,6-trien-3-yl]amino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 146588631
(3,3-difluoroazetidin-1-yl)-[6-[4-[3-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]methanone
CID 137387715
2-(2-pyrazol-1-yl-1H-indol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 137387442

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 137379458) is 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide is COc1cc(-c2cn[nH]c2)ccc1Nc1ccnc(-c2ccc3cc(C(=O)N(C)C)[nH]c3c2)n1.
What is the InChIKey of 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is BKDCZPSLQBCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-32(2)25(33)21-10-16-4-5-17(11-20(16)29-21)24-26-9-8-23(31-24)30-19-7-6-15(12-22(19)34-3)18-13-27-28-14-18/h4-14,29H,1-3H3,(H,27,28)(H,26,30,31).
What are the key properties of 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-methoxy-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 137379458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).