1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

C25H31F2N7O — CID 156825920

IUPAC1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCCCc1nc(N2CC(C)C(F)(F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1
InChIInChI=1S/C25H31F2N7O/c1-4-5-19-17(6-9-22(30-19)33-11-16(2)25(26,27)14-33)12-34-13-18(10-29-34)24(35)31-20-7-8-21-23(20)28-15-32(21)3/h6,9-10,13,15-16,20H,4-5,7-8,11-12,14H2,1-3H3,(H,31,35)/t16?,20-/m1/s1
InChIKeyPTXYVWJXVLGMJB-OTOKDRCRSA-N
MW483.57 g/mol
LogP3.52
Rot. Bonds7

About 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (PubChem CID 156825920) has the molecular formula C25H31F2N7O and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
PubChem CID156825920
Molecular FormulaC25H31F2N7O
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Name1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCCCc1nc(N2CC(C)C(F)(F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1
InChIInChI=1S/C25H31F2N7O/c1-4-5-19-17(6-9-22(30-19)33-11-16(2)25(26,27)14-33)12-34-13-18(10-29-34)24(35)31-20-7-8-21-23(20)28-15-32(21)3/h6,9-10,13,15-16,20H,4-5,7-8,11-12,14H2,1-3H3,(H,31,35)/t16?,20-/m1/s1
InChIKeyPTXYVWJXVLGMJB-OTOKDRCRSA-N
XLogP3.52
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (CID 156825920) is 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is CCCc1nc(N2CC(C)C(F)(F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2ncn3C)cn1.
What is the InChIKey of 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is PTXYVWJXVLGMJB-OTOKDRCRSA-N. The full InChI is InChI=1S/C25H31F2N7O/c1-4-5-19-17(6-9-22(30-19)33-11-16(2)25(26,27)14-33)12-34-13-18(10-29-34)24(35)31-20-7-8-21-23(20)28-15-32(21)3/h6,9-10,13,15-16,20H,4-5,7-8,11-12,14H2,1-3H3,(H,31,35)/t16?,20-/m1/s1.
What are the key properties of 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3,3-difluoro-4-methylpyrrolidin-1-yl)-2-propyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 156825920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).