[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone

C22H21F2N7O3 — CID 143843172

IUPAC[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1c(F)cc(-n2ccc3cnc(Nc4cnn(CCO)c4)nc32)cc1F)N1CCOCC1
InChIInChI=1S/C22H21F2N7O3/c23-17-9-16(10-18(24)19(17)21(33)29-4-7-34-8-5-29)31-2-1-14-11-25-22(28-20(14)31)27-15-12-26-30(13-15)3-6-32/h1-2,9-13,32H,3-8H2,(H,25,27,28)
InChIKeyPCVYHMKCAHPLRO-UHFFFAOYSA-N
MW469.45 g/mol
LogP2.10
Rot. Bonds6

About [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone

[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 143843172) has the molecular formula C22H21F2N7O3 and a molecular weight of 469.45 g/mol. Its IUPAC name is [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID143843172
Molecular FormulaC22H21F2N7O3
Molecular Weight469.45 g/mol
Exact Mass469.17
IUPAC Name[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1c(F)cc(-n2ccc3cnc(Nc4cnn(CCO)c4)nc32)cc1F)N1CCOCC1
InChIInChI=1S/C22H21F2N7O3/c23-17-9-16(10-18(24)19(17)21(33)29-4-7-34-8-5-29)31-2-1-14-11-25-22(28-20(14)31)27-15-12-26-30(13-15)3-6-32/h1-2,9-13,32H,3-8H2,(H,25,27,28)
InChIKeyPCVYHMKCAHPLRO-UHFFFAOYSA-N
XLogP2.10
TPSA110.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone 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

2-[4-[[1-[(2-fluoro-5-morpholin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 56932467
[4-[[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 67102286
[4-[2-[3-[(3,5-dimethylpiperazin-1-yl)methyl]-4-methylanilino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-fluorophenyl]-morpholin-4-ylmethanone
CID 67109851
6-[4-(2-fluoroprop-2-enoyl)-2,3-dihydroquinoxalin-1-yl]-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 169232801
4-[2-fluoro-3-[[6-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]morpholin-3-one
CID 56932469
2-[4-[[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 52914629
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 70985874
N-[5-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-7-[3-fluoro-5-iodo-4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 70986023
methyl 4-[5-fluoro-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate
CID 154940247
N-[1-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]piperidin-3-yl]prop-2-enamide
CID 169232683
2-[4-[[1-[(3-fluoro-5-piperazin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 56932824
2-[4-[[1-[(2,3,6-trifluoro-5-piperazin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyrazol-1-yl]ethanol
CID 88958422

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone (CID 143843172) is [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1c(F)cc(-n2ccc3cnc(Nc4cnn(CCO)c4)nc32)cc1F)N1CCOCC1.
What is the InChIKey of [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is PCVYHMKCAHPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N7O3/c23-17-9-16(10-18(24)19(17)21(33)29-4-7-34-8-5-29)31-2-1-14-11-25-22(28-20(14)31)27-15-12-26-30(13-15)3-6-32/h1-2,9-13,32H,3-8H2,(H,25,27,28).
What are the key properties of [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone?
[2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 469.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 143843172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).