N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide

C23H27N7O2 — CID 175337728

IUPACN-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1nc(Nc2cnn(CCO)c2)nc2c1CCN2Cc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H27N7O2/c1-15-20-7-8-29(13-16-3-2-4-18(11-16)26-22(32)17-5-6-17)21(20)28-23(25-15)27-19-12-24-30(14-19)9-10-31/h2-4,11-12,14,17,31H,5-10,13H2,1H3,(H,26,32)(H,25,27,28)
InChIKeyUICHXOARFNJRGB-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.63
Rot. Bonds8

About N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 175337728) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide
PubChem CID175337728
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1nc(Nc2cnn(CCO)c2)nc2c1CCN2Cc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C23H27N7O2/c1-15-20-7-8-29(13-16-3-2-4-18(11-16)26-22(32)17-5-6-17)21(20)28-23(25-15)27-19-12-24-30(14-19)9-10-31/h2-4,11-12,14,17,31H,5-10,13H2,1H3,(H,26,32)(H,25,27,28)
InChIKeyUICHXOARFNJRGB-UHFFFAOYSA-N
XLogP2.63
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide 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

N-[3-[[4-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]prop-2-enamide
CID 163216075
N-[4-[[2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]prop-2-enamide
CID 175337725
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 166213314
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-[1-(2-phenylethyl)pyrazol-4-yl]cyclopentanecarboxamide
CID 95744788
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19395451

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide (CID 175337728) is N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide is Cc1nc(Nc2cnn(CCO)c2)nc2c1CCN2Cc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UICHXOARFNJRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-20-7-8-29(13-16-3-2-4-18(11-16)26-22(32)17-5-6-17)21(20)28-23(25-15)27-19-12-24-30(14-19)9-10-31/h2-4,11-12,14,17,31H,5-10,13H2,1H3,(H,26,32)(H,25,27,28).
What are the key properties of N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 433.52 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-4-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 175337728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).