6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide

C21H29ClFN5O2 — CID 146381870

IUPAC6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCn1cc(C2CCC(Nc3cc(Cl)ncc3C(=O)NCC(F)C(C)(C)O)CC2)cn1
InChIInChI=1S/C21H29ClFN5O2/c1-21(2,30)18(23)11-25-20(29)16-10-24-19(22)8-17(16)27-15-6-4-13(5-7-15)14-9-26-28(3)12-14/h8-10,12-13,15,18,30H,4-7,11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyPPCZWTFLJWTCLZ-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.45
Rot. Bonds7

About 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide

6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 146381870) has the molecular formula C21H29ClFN5O2 and a molecular weight of 437.95 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
PubChem CID146381870
Molecular FormulaC21H29ClFN5O2
Molecular Weight437.95 g/mol
Exact Mass437.20
IUPAC Name6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide
SMILESCn1cc(C2CCC(Nc3cc(Cl)ncc3C(=O)NCC(F)C(C)(C)O)CC2)cn1
InChIInChI=1S/C21H29ClFN5O2/c1-21(2,30)18(23)11-25-20(29)16-10-24-19(22)8-17(16)27-15-6-4-13(5-7-15)14-9-26-28(3)12-14/h8-10,12-13,15,18,30H,4-7,11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyPPCZWTFLJWTCLZ-UHFFFAOYSA-N
XLogP3.45
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-[[4-[2-(difluoromethyl)triazol-4-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146382161
6-chloro-4-[[(1S)-3-fluorocyclohexyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 90154764
6-chloro-4-[[4-[3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146423188
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[(1S)-3-hydroxy-3-methylcyclohexyl]amino]pyridine-3-carboxamide
CID 138704638
6-bromo-4-(cyclohexylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 146415703
6-chloro-4-[(4,4-difluorooxolan-3-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 139508071
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(2-methylpyrimidin-5-yl)cyclohexyl]amino]pyridine-3-carboxamide
CID 146423160
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(4-pyridin-4-ylcyclohexyl)amino]pyridine-3-carboxamide
CID 146423222
4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
CID 123818525
6-(6-amino-5-cyanopyrazolo[3,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206743
4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(5-fluoropyrazolo[3,4-b]pyridin-1-yl)pyridine-3-carboxamide
CID 118206569
6-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 139508275

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide (CID 146381870) is 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide is Cn1cc(C2CCC(Nc3cc(Cl)ncc3C(=O)NCC(F)C(C)(C)O)CC2)cn1.
What is the InChIKey of 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide?
The InChIKey is PPCZWTFLJWTCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClFN5O2/c1-21(2,30)18(23)11-25-20(29)16-10-24-19(22)8-17(16)27-15-6-4-13(5-7-15)14-9-26-28(3)12-14/h8-10,12-13,15,18,30H,4-7,11H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide?
6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide has a molecular weight of 437.95 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[[4-(1-methylpyrazol-4-yl)cyclohexyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 146381870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).