2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide

C14H11ClFN7O3 — CID 67971460

IUPAC2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide
SMILESCOc1n[nH]c2ncnc(NC(=O)Nc3c(F)ccc(C(N)=O)c3Cl)c12
InChIInChI=1S/C14H11ClFN7O3/c1-26-13-7-11(18-4-19-12(7)22-23-13)21-14(25)20-9-6(16)3-2-5(8(9)15)10(17)24/h2-4H,1H3,(H2,17,24)(H3,18,19,20,21,22,23,25)
InChIKeyQRQCRLYSJGHQHQ-UHFFFAOYSA-N
MW379.74 g/mol
LogP1.90
Rot. Bonds4

About 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide

2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide (PubChem CID 67971460) has the molecular formula C14H11ClFN7O3 and a molecular weight of 379.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide
PubChem CID67971460
Molecular FormulaC14H11ClFN7O3
Molecular Weight379.74 g/mol
Exact Mass379.06
IUPAC Name2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide
SMILESCOc1n[nH]c2ncnc(NC(=O)Nc3c(F)ccc(C(N)=O)c3Cl)c12
InChIInChI=1S/C14H11ClFN7O3/c1-26-13-7-11(18-4-19-12(7)22-23-13)21-14(25)20-9-6(16)3-2-5(8(9)15)10(17)24/h2-4H,1H3,(H2,17,24)(H3,18,19,20,21,22,23,25)
InChIKeyQRQCRLYSJGHQHQ-UHFFFAOYSA-N
XLogP1.90
TPSA147.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.74
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-2,6-difluorophenyl)-3-(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 67971338
1-[3-(ethylsulfonylamino)-2,6-difluorophenyl]-3-(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 50995347
1-[2,6-difluoro-3-[methyl(propylsulfonyl)amino]phenyl]-3-(3-ethoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 67034778
2,4-difluoro-3-(7H-purin-6-ylcarbamoylamino)benzamide
CID 67971581
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(3-amino-2,6-difluorophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)urea
CID 67971415
1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-(3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)urea
CID 50995526
3-acetamido-2,4-difluorobenzamide
CID 154632543
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
4-chloro-2-methoxybenzamide
CID 19741766
5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 167829005
1-[(4-chlorophenyl)methyl]-3-(4-ethyl-3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 123467913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide?
The IUPAC name of 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide (CID 67971460) is 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide is COc1n[nH]c2ncnc(NC(=O)Nc3c(F)ccc(C(N)=O)c3Cl)c12.
What is the InChIKey of 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide?
The InChIKey is QRQCRLYSJGHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN7O3/c1-26-13-7-11(18-4-19-12(7)22-23-13)21-14(25)20-9-6(16)3-2-5(8(9)15)10(17)24/h2-4H,1H3,(H2,17,24)(H3,18,19,20,21,22,23,25).
What are the key properties of 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide?
2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide has a molecular weight of 379.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-3-[(3-methoxy-1H-pyrazolo[5,4-d]pyrimidin-4-yl)carbamoylamino]benzamide is sourced from PubChem (CID 67971460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).