N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide

C25H32FN9O — CID 154827268

IUPACN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(C2CCC(C(=O)NCc3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C25H32FN9O/c1-15-9-21(31-22-10-16(2)33-34-22)32-24(30-15)18-4-6-19(7-5-18)25(36)28-12-17-3-8-23(27-11-17)35-14-20(26)13-29-35/h3,8-9,11,13-14,16,18-19,22,33-34H,4-7,10,12H2,1-2H3,(H,28,36)(H,30,31,32)
InChIKeyIWDNSAQEVIGQOB-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.72
Rot. Bonds7

About N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide

N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide (PubChem CID 154827268) has the molecular formula C25H32FN9O and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
PubChem CID154827268
Molecular FormulaC25H32FN9O
Molecular Weight493.59 g/mol
Exact Mass493.27
IUPAC NameN-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
SMILESCc1cc(NC2CC(C)NN2)nc(C2CCC(C(=O)NCc3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C25H32FN9O/c1-15-9-21(31-22-10-16(2)33-34-22)32-24(30-15)18-4-6-19(7-5-18)25(36)28-12-17-3-8-23(27-11-17)35-14-20(26)13-29-35/h3,8-9,11,13-14,16,18-19,22,33-34H,4-7,10,12H2,1-2H3,(H,28,36)(H,30,31,32)
InChIKeyIWDNSAQEVIGQOB-UHFFFAOYSA-N
XLogP2.72
TPSA121.68 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide with MolForge

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CID 162540425

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide (CID 154827268) is N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide is Cc1cc(NC2CC(C)NN2)nc(C2CCC(C(=O)NCc3ccc(-n4cc(F)cn4)nc3)CC2)n1.
What is the InChIKey of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide?
The InChIKey is IWDNSAQEVIGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN9O/c1-15-9-21(31-22-10-16(2)33-34-22)32-24(30-15)18-4-6-19(7-5-18)25(36)28-12-17-3-8-23(27-11-17)35-14-20(26)13-29-35/h3,8-9,11,13-14,16,18-19,22,33-34H,4-7,10,12H2,1-2H3,(H,28,36)(H,30,31,32).
What are the key properties of N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide?
N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.72, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 154827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).