5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide

C24H28N6O — CID 146400551

IUPAC5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)NC2CCc3c2n[nH]c3C)[nH]1
InChIInChI=1S/C24H28N6O/c1-13-15(3-8-22(25-13)30-11-16-9-17(16)12-30)10-18-4-6-21(26-18)24(31)27-20-7-5-19-14(2)28-29-23(19)20/h3-4,6,8,16-17,20,26H,5,7,9-12H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDFOUYZDGGQZFSC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.21
Rot. Bonds5

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

5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide (PubChem CID 146400551) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide
PubChem CID146400551
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)NC2CCc3c2n[nH]c3C)[nH]1
InChIInChI=1S/C24H28N6O/c1-13-15(3-8-22(25-13)30-11-16-9-17(16)12-30)10-18-4-6-21(26-18)24(31)27-20-7-5-19-14(2)28-29-23(19)20/h3-4,6,8,16-17,20,26H,5,7,9-12H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyDFOUYZDGGQZFSC-UHFFFAOYSA-N
XLogP3.21
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide (CID 146400551) is 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide is Cc1nc(N2CC3CC3C2)ccc1Cc1ccc(C(=O)NC2CCc3c2n[nH]c3C)[nH]1.
What is the InChIKey of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is DFOUYZDGGQZFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-13-15(3-8-22(25-13)30-11-16-9-17(16)12-30)10-18-4-6-21(26-18)24(31)27-20-7-5-19-14(2)28-29-23(19)20/h3-4,6,8,16-17,20,26H,5,7,9-12H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide?
5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-(3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 146400551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).