1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C23H27F2N7O — CID 146371870

IUPAC1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2CCC(C(F)F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C23H27F2N7O/c1-13-15(3-6-20(27-13)31-8-7-16(10-31)22(24)25)11-32-12-17(9-26-32)23(33)28-19-5-4-18-14(2)29-30-21(18)19/h3,6,9,12,16,19,22H,4-5,7-8,10-11H2,1-2H3,(H,28,33)(H,29,30)/t16?,19-/m1/s1
InChIKeyFIMLSGQUTPCZRV-LRTDYKAYSA-N
MW455.51 g/mol
LogP3.18
Rot. Bonds6

About 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146371870) has the molecular formula C23H27F2N7O and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID146371870
Molecular FormulaC23H27F2N7O
Molecular Weight455.51 g/mol
Exact Mass455.22
IUPAC Name1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2CCC(C(F)F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C23H27F2N7O/c1-13-15(3-6-20(27-13)31-8-7-16(10-31)22(24)25)11-32-12-17(9-26-32)23(33)28-19-5-4-18-14(2)29-30-21(18)19/h3,6,9,12,16,19,22H,4-5,7-8,10-11H2,1-2H3,(H,28,33)(H,29,30)/t16?,19-/m1/s1
InChIKeyFIMLSGQUTPCZRV-LRTDYKAYSA-N
XLogP3.18
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 156825841
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]triazole-4-carboxamide
CID 156825849
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 156825864
Plasma kallikrein-IN-1
CID 156825884
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 156825891
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(difluoromethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 156825914
N-[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]-1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 129103439
US10640486, Example 36
CID 129097393
US10501440, Example 10
CID 135362185
US10501440, Example 19
CID 135362321
US10501440, Example 9
CID 140932736
US10501440, Example 4
CID 140932742

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146371870) is 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2CCC(C(F)F)C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1.
What is the InChIKey of 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is FIMLSGQUTPCZRV-LRTDYKAYSA-N. The full InChI is InChI=1S/C23H27F2N7O/c1-13-15(3-6-20(27-13)31-8-7-16(10-31)22(24)25)11-32-12-17(9-26-32)23(33)28-19-5-4-18-14(2)29-30-21(18)19/h3,6,9,12,16,19,22H,4-5,7-8,10-11H2,1-2H3,(H,28,33)(H,29,30)/t16?,19-/m1/s1.
What are the key properties of 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 146371870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).