2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

C24H24F2N6O3 — CID 70847815

IUPAC2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESCc1cc(C(C)(F)F)cn1CC(=O)Nc1cncc(C(=O)c2cn([C@@H](C)CO)c3ncncc23)c1
InChIInChI=1S/C24H24F2N6O3/c1-14-4-17(24(3,25)26)9-31(14)11-21(34)30-18-5-16(6-27-7-18)22(35)20-10-32(15(2)12-33)23-19(20)8-28-13-29-23/h4-10,13,15,33H,11-12H2,1-3H3,(H,30,34)/t15-/m0/s1
InChIKeyKUBZQFWYUKTDFG-HNNXBMFYSA-N
MW482.49 g/mol
LogP3.47
Rot. Bonds8

About 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (PubChem CID 70847815) has the molecular formula C24H24F2N6O3 and a molecular weight of 482.49 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
PubChem CID70847815
Molecular FormulaC24H24F2N6O3
Molecular Weight482.49 g/mol
Exact Mass482.19
IUPAC Name2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESCc1cc(C(C)(F)F)cn1CC(=O)Nc1cncc(C(=O)c2cn([C@@H](C)CO)c3ncncc23)c1
InChIInChI=1S/C24H24F2N6O3/c1-14-4-17(24(3,25)26)9-31(14)11-21(34)30-18-5-16(6-27-7-18)22(35)20-10-32(15(2)12-33)23-19(20)8-28-13-29-23/h4-10,13,15,33H,11-12H2,1-3H3,(H,30,34)/t15-/m0/s1
InChIKeyKUBZQFWYUKTDFG-HNNXBMFYSA-N
XLogP3.47
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide 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 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (CID 70847815) is 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is Cc1cc(C(C)(F)F)cn1CC(=O)Nc1cncc(C(=O)c2cn([C@@H](C)CO)c3ncncc23)c1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is KUBZQFWYUKTDFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24F2N6O3/c1-14-4-17(24(3,25)26)9-31(14)11-21(34)30-18-5-16(6-27-7-18)22(35)20-10-32(15(2)12-33)23-19(20)8-28-13-29-23/h4-10,13,15,33H,11-12H2,1-3H3,(H,30,34)/t15-/m0/s1.
What are the key properties of 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 482.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-2-methylpyrrol-1-yl]-N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 70847815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).