[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid

C18H13F2N7O2 — CID 126537727

IUPAC[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C18H13F2N7O2/c19-14(20)11-2-1-3-12(24-11)17-26-15-10(5-7-22-15)16(27-17)23-9-4-6-21-13(8-9)25-18(28)29/h1-8,14H,(H,28,29)(H3,21,22,23,25,26,27)
InChIKeyIUNADWQHUULRFM-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.19
Rot. Bonds5

About [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid

[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid (PubChem CID 126537727) has the molecular formula C18H13F2N7O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid
PubChem CID126537727
Molecular FormulaC18H13F2N7O2
Molecular Weight397.35 g/mol
Exact Mass397.11
IUPAC Name[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C18H13F2N7O2/c19-14(20)11-2-1-3-12(24-11)17-26-15-10(5-7-22-15)16(27-17)23-9-4-6-21-13(8-9)25-18(28)29/h1-8,14H,(H,28,29)(H3,21,22,23,25,26,27)
InChIKeyIUNADWQHUULRFM-UHFFFAOYSA-N
XLogP4.19
TPSA128.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid 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

fluoro N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamate
CID 126537729
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5-fluoro-2-pyridinyl]acetamide
CID 126537574
3-methyl-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]butanamide
CID 126537583
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetamide
CID 126537449
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]propanamide
CID 145236062
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CID 140987852
[4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]carbamic acid
CID 126622417
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
N-[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-5-[[(2-hydroxy-2-methylpropyl)amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5-fluoro-2-pyridinyl]acetamide
CID 126537741
4-(3-chloroanilino)-6-methyl-1H-pyrrolo[3,2-c]pyridine-7-carboxylic acid
CID 69371562
[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamic acid
CID 174234102
ethane;N-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 145236214

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid?
The IUPAC name of [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid (CID 126537727) is [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid?
The canonical SMILES for [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid is O=C(O)Nc1cc(Nc2nc(-c3cccc(C(F)F)n3)nc3[nH]ccc23)ccn1.
What is the InChIKey of [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid?
The InChIKey is IUNADWQHUULRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N7O2/c19-14(20)11-2-1-3-12(24-11)17-26-15-10(5-7-22-15)16(27-17)23-9-4-6-21-13(8-9)25-18(28)29/h1-8,14H,(H,28,29)(H3,21,22,23,25,26,27).
What are the key properties of [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid?
[4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid has a molecular weight of 397.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[6-(difluoromethyl)-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 126537727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).