5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide

C28H27F2N9O2 — CID 153172731

IUPAC5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(C(=O)NO)nc5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H27F2N9O2/c1-15(2)39-16(3)34-26-20(29)9-18(10-23(26)39)25-21(30)13-33-28(36-25)35-24-8-6-19(12-32-24)38(4)14-17-5-7-22(31-11-17)27(40)37-41/h5-13,15,41H,14H2,1-4H3,(H,37,40)(H,32,33,35,36)
InChIKeyWENYCKFIQKZVQM-UHFFFAOYSA-N
MW559.58 g/mol
LogP4.95
Rot. Bonds8

About 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide

5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide (PubChem CID 153172731) has the molecular formula C28H27F2N9O2 and a molecular weight of 559.58 g/mol. Its IUPAC name is 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide
PubChem CID153172731
Molecular FormulaC28H27F2N9O2
Molecular Weight559.58 g/mol
Exact Mass559.23
IUPAC Name5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide
SMILESCc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(C(=O)NO)nc5)cn4)ncc3F)cc2n1C(C)C
InChIInChI=1S/C28H27F2N9O2/c1-15(2)39-16(3)34-26-20(29)9-18(10-23(26)39)25-21(30)13-33-28(36-25)35-24-8-6-19(12-32-24)38(4)14-17-5-7-22(31-11-17)27(40)37-41/h5-13,15,41H,14H2,1-4H3,(H,37,40)(H,32,33,35,36)
InChIKeyWENYCKFIQKZVQM-UHFFFAOYSA-N
XLogP4.95
TPSA133.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.58
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-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

Abemaciclib
CID 46220502
Ribociclib
CID 44631912
Trilaciclib
CID 68029831
Lerociclib
CID 86269224
Abemaciclib Mesylate
CID 71576678
4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71226367
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-amide
CID 53468024
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
Bay-985
CID 145925685
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one, 7',8'-dihydro-2'-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
CID 89798202
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352

Frequently Asked Questions

What is the IUPAC name of 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide?
The IUPAC name of 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide (CID 153172731) is 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide.
What is the SMILES notation for 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide?
The canonical SMILES for 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(C(=O)NO)nc5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide?
The InChIKey is WENYCKFIQKZVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N9O2/c1-15(2)39-16(3)34-26-20(29)9-18(10-23(26)39)25-21(30)13-33-28(36-25)35-24-8-6-19(12-32-24)38(4)14-17-5-7-22(31-11-17)27(40)37-41/h5-13,15,41H,14H2,1-4H3,(H,37,40)(H,32,33,35,36).
What are the key properties of 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide?
5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide has a molecular weight of 559.58 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]-methylamino]methyl]-N-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 153172731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).