4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide

C25H23ClFN5O2 — CID 10140634

IUPAC4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1cc(-c2nc(N)ncc2-c2cccc(Cl)c2F)c[nH]1
InChIInChI=1S/C25H23ClFN5O2/c1-14(23(33)15-7-4-3-5-8-15)32(2)24(34)20-11-16(12-29-20)22-18(13-30-25(28)31-22)17-9-6-10-19(26)21(17)27/h3-14,23,29,33H,1-2H3,(H2,28,30,31)
InChIKeyCTOARZHIYVUWNK-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.71
Rot. Bonds6

About 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide

4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 10140634) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID10140634
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)c1cc(-c2nc(N)ncc2-c2cccc(Cl)c2F)c[nH]1
InChIInChI=1S/C25H23ClFN5O2/c1-14(23(33)15-7-4-3-5-8-15)32(2)24(34)20-11-16(12-29-20)22-18(13-30-25(28)31-22)17-9-6-10-19(26)21(17)27/h3-14,23,29,33H,1-2H3,(H2,28,30,31)
InChIKeyCTOARZHIYVUWNK-UHFFFAOYSA-N
XLogP4.71
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide 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

Ulixertinib
CID 11719003
Pyrimidylpyrrole, 10b
CID 44481493
Pyrimidylpyrrole, 11b
CID 44481495
Pyrrolo[1,2-a]pyrazin-1(2H)-one, 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dihydro-7-[2-[(tetrahydro-2H-pyran-4-yl)amino]-4-pyrimidinyl]-
CID 91864560
2-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-8-[2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrimidin-4-Yl]-2,3,4,5-Tetrahydro-1h-Pyrrolo[1,2-A][1,4]diazepin-1-One
CID 91864561
2-[(1s)-1-(3-Chlorophenyl)-2-Hydroxyethyl]-8-(2-{[(1s,3r)-3-Hydroxycyclopentyl]amino}pyrimidin-4-Yl)-2,3,4,5-Tetrahydro-1h-Pyrrolo[1,2-A][1,4]diazepin-1-One
CID 91864562
4-(2-((2-Chloro-4-fluorophenyl)amino)-5-methyl-4-pyrimidinyl)-N-((1S)-1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 11634725
N-[(1s)-2-Hydroxy-1-Phenylethyl]-4-[5-Methyl-2-(Phenylamino)pyrimidin-4-Yl]-1h-Pyrrole-2-Carboxamide
CID 44480711
4-{2-[(2-Chlorophenyl)amino]-5-Methylpyrimidin-4-Yl}-N-[(1s)-2-Hydroxy-1-Phenylethyl]-1h-Pyrrole-2-Carboxamide
CID 44481490
Pyrimidylpyrrole, 9c
CID 44481491
Pyrimidylpyrrole, 9e
CID 44481492
Pyrimidylpyrrole, 10d
CID 44481494

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide (CID 10140634) is 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide is CC(C(O)c1ccccc1)N(C)C(=O)c1cc(-c2nc(N)ncc2-c2cccc(Cl)c2F)c[nH]1.
What is the InChIKey of 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is CTOARZHIYVUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-14(23(33)15-7-4-3-5-8-15)32(2)24(34)20-11-16(12-29-20)22-18(13-30-25(28)31-22)17-9-6-10-19(26)21(17)27/h3-14,23,29,33H,1-2H3,(H2,28,30,31).
What are the key properties of 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide?
4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3-chloro-2-fluorophenyl)pyrimidin-4-yl]-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10140634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).