1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C24H28FN7O — CID 146371947

IUPAC1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(CF)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H28FN7O/c1-13-15(3-6-22(27-13)31-11-19-18(7-25)20(19)12-31)9-32-10-16(8-26-32)24(33)28-21-5-4-17-14(2)29-30-23(17)21/h3,6,8,10,18-21H,4-5,7,9,11-12H2,1-2H3,(H,28,33)(H,29,30)/t18?,19-,20+,21-/m1/s1
InChIKeyQRMXOFOMGOCHCR-OTYNDTSQSA-N
MW449.53 g/mol
LogP2.74
Rot. Bonds6

About 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (PubChem CID 146371947) has the molecular formula C24H28FN7O and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID146371947
Molecular FormulaC24H28FN7O
Molecular Weight449.53 g/mol
Exact Mass449.23
IUPAC Name1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCc1nc(N2C[C@@H]3C(CF)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1
InChIInChI=1S/C24H28FN7O/c1-13-15(3-6-22(27-13)31-11-19-18(7-25)20(19)12-31)9-32-10-16(8-26-32)24(33)28-21-5-4-17-14(2)29-30-23(17)21/h3,6,8,10,18-21H,4-5,7,9,11-12H2,1-2H3,(H,28,33)(H,29,30)/t18?,19-,20+,21-/m1/s1
InChIKeyQRMXOFOMGOCHCR-OTYNDTSQSA-N
XLogP2.74
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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

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CID 156825891
CID 156825891
CID 156825914
CID 156825914
CID 156826448
CID 156826448
CID 129103439
CID 129103439
CID 129097198
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CID 129097393
CID 129097393
CID 129098693
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CID 135362185
CID 135362185

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146371947) is 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is Cc1nc(N2C[C@@H]3C(CF)[C@@H]3C2)ccc1Cn1cc(C(=O)N[C@@H]2CCc3c2n[nH]c3C)cn1.
What is the InChIKey of 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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 QRMXOFOMGOCHCR-OTYNDTSQSA-N. The full InChI is InChI=1S/C24H28FN7O/c1-13-15(3-6-22(27-13)31-11-19-18(7-25)20(19)12-31)9-32-10-16(8-26-32)24(33)28-21-5-4-17-14(2)29-30-23(17)21/h3,6,8,10,18-21H,4-5,7,9,11-12H2,1-2H3,(H,28,33)(H,29,30)/t18?,19-,20+,21-/m1/s1.
What are the key properties of 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide?
1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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 449.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(1S,5R)-6-(fluoromethyl)-3-azabicyclo[3.1.0]hexan-3-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 146371947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).