4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane

C46H51Cl2F3N10O3 — CID 158372506

IUPAC4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane
SMILESC.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.NC1CC1.[2H]CF
InChIInChI=1S/C22H21ClFN5O.C19H16ClFN4O2.C3H7N.CH3F.CH4/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2;/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;1H3;1H4/i;;;1D;
InChIKeyGUUAWCLGITVGMN-JLMMQWLNSA-N
MW920.89 g/mol
LogP11.32
Rot. Bonds11

About 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane

4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane (PubChem CID 158372506) has the molecular formula C46H51Cl2F3N10O3 and a molecular weight of 920.89 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane
PubChem CID158372506
Molecular FormulaC46H51Cl2F3N10O3
Molecular Weight920.89 g/mol
Exact Mass919.35
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane
SMILESC.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.NC1CC1.[2H]CF
InChIInChI=1S/C22H21ClFN5O.C19H16ClFN4O2.C3H7N.CH3F.CH4/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2;/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;1H3;1H4/i;;;1D;
InChIKeyGUUAWCLGITVGMN-JLMMQWLNSA-N
XLogP11.32
TPSA193.82 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.89
LogP ≤ 511.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane with MolForge

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Related Compounds

3-Pyridinecarboxylic acid, 4-[[2-(5-chloro-2-fluorophenyl)-7-[methyl(phenylmethyl)amino]pyrido[2,3-d]pyrimidin-4-yl]amino]-
CID 11856491
Methyl 4-[[7-[benzyl(methyl)amino]-2-(5-chloro-2-fluoro-phenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 11989324
5-Chloro-6-[4-[6-(3-chloro-4-fluorophenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 11657082
4-[2-(5-Chloro-2-fluoro-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamino]-nicotinic acid
CID 11856489
4-[2-(5-Chloro-2-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-ylamino]-nicotinic acid
CID 21104324
5-chloro-6-[(3R)-4-[6-(3-chloro-4-fluorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyridine-3-carboxylic acid
CID 58657785
4-[2-(5-Chloro-2-fluoro-phenyl)-7-(2-dimethylamino-ethylamino)-pyrido[2,3-d]pyrimidin-4-ylamino]-nicotinic acid
CID 58835252
5-[2-(3-Chloro-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353201
5-[2-(3-Chloro-4-fluoroanilino)-4-(propan-2-ylamino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353343
5-[2-(3-Chloro-4-fluoroanilino)-4-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353494
5-[4-(4-Acetamidopiperidin-1-yl)-2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353511
5-[4-[(3-Amino-3-oxopropyl)amino]-2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353545

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane (CID 158372506) is 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane is C.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CC1.CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)O.NC1CC1.[2H]CF.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane?
The InChIKey is GUUAWCLGITVGMN-JLMMQWLNSA-N. The full InChI is InChI=1S/C22H21ClFN5O.C19H16ClFN4O2.C3H7N.CH3F.CH4/c1-12(2)16-11-26-20(15-9-13(23)3-6-18(15)24)29-21(16)28-19-7-8-25-10-17(19)22(30)27-14-4-5-14;1-10(2)13-9-23-17(12-7-11(20)3-4-15(12)21)25-18(13)24-16-5-6-22-8-14(16)19(26)27;4-3-1-2-3;1-2;/h3,6-12,14H,4-5H2,1-2H3,(H,27,30)(H,25,26,28,29);3-10H,1-2H3,(H,26,27)(H,22,23,24,25);3H,1-2,4H2;1H3;1H4/i;;;1D;.
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane?
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane has a molecular weight of 920.89 g/mol, XLogP of 11.32, 11 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid;cyclopropanamine;deuterio(fluoro)methane;methane is sourced from PubChem (CID 158372506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).