4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

C32H35FN6O3 — CID 71230778

IUPAC4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(-c3ncnc4[nH]c(C5=CCN(C(=O)N(C)C)CC5)cc34)c2C)cc1
InChIInChI=1S/C32H35FN6O3/c1-19-24(15-23(33)16-26(19)37-30(40)21-7-9-22(10-8-21)32(2,3)42-6)28-25-17-27(36-29(25)35-18-34-28)20-11-13-39(14-12-20)31(41)38(4)5/h7-11,15-18H,12-14H2,1-6H3,(H,37,40)(H,34,35,36)
InChIKeyRXTLGQQWYGOUNM-UHFFFAOYSA-N
MW570.67 g/mol
LogP5.98
Rot. Bonds6

About 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 71230778) has the molecular formula C32H35FN6O3 and a molecular weight of 570.67 g/mol. Its IUPAC name is 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID71230778
Molecular FormulaC32H35FN6O3
Molecular Weight570.67 g/mol
Exact Mass570.28
IUPAC Name4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(-c3ncnc4[nH]c(C5=CCN(C(=O)N(C)C)CC5)cc34)c2C)cc1
InChIInChI=1S/C32H35FN6O3/c1-19-24(15-23(33)16-26(19)37-30(40)21-7-9-22(10-8-21)32(2,3)42-6)28-25-17-27(36-29(25)35-18-34-28)20-11-13-39(14-12-20)31(41)38(4)5/h7-11,15-18H,12-14H2,1-6H3,(H,37,40)(H,34,35,36)
InChIKeyRXTLGQQWYGOUNM-UHFFFAOYSA-N
XLogP5.98
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.67
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 71230778) is 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is COC(C)(C)c1ccc(C(=O)Nc2cc(F)cc(-c3ncnc4[nH]c(C5=CCN(C(=O)N(C)C)CC5)cc34)c2C)cc1.
What is the InChIKey of 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is RXTLGQQWYGOUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O3/c1-19-24(15-23(33)16-26(19)37-30(40)21-7-9-22(10-8-21)32(2,3)42-6)28-25-17-27(36-29(25)35-18-34-28)20-11-13-39(14-12-20)31(41)38(4)5/h7-11,15-18H,12-14H2,1-6H3,(H,37,40)(H,34,35,36).
What are the key properties of 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 570.67 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-fluoro-3-[[4-(2-methoxypropan-2-yl)benzoyl]amino]-2-methylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 71230778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).