1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide

C25H31N7O2 — CID 146371949

IUPAC1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCOC1C2CC1CN(c1ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4n[nH]c5C)cn3)c(C)n1)C2
InChIInChI=1S/C25H31N7O2/c1-14-16(4-7-22(27-14)31-10-17-8-18(11-31)24(17)34-3)12-32-13-19(9-26-32)25(33)28-21-6-5-20-15(2)29-30-23(20)21/h4,7,9,13,17-18,21,24H,5-6,8,10-12H2,1-3H3,(H,28,33)(H,29,30)/t17?,18?,21-,24?/m1/s1
InChIKeyMXRZUASONZDCHY-NIAMKKLCSA-N
MW461.57 g/mol
LogP2.55
Rot. Bonds6

About 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-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 146371949) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
PubChem CID146371949
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
SMILESCOC1C2CC1CN(c1ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4n[nH]c5C)cn3)c(C)n1)C2
InChIInChI=1S/C25H31N7O2/c1-14-16(4-7-22(27-14)31-10-17-8-18(11-31)24(17)34-3)12-32-13-19(9-26-32)25(33)28-21-6-5-20-15(2)29-30-23(20)21/h4,7,9,13,17-18,21,24H,5-6,8,10-12H2,1-3H3,(H,28,33)(H,29,30)/t17?,18?,21-,24?/m1/s1
InChIKeyMXRZUASONZDCHY-NIAMKKLCSA-N
XLogP2.55
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide (CID 146371949) is 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide is COC1C2CC1CN(c1ccc(Cn3cc(C(=O)N[C@@H]4CCc5c4n[nH]c5C)cn3)c(C)n1)C2.
What is the InChIKey of 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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 MXRZUASONZDCHY-NIAMKKLCSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-14-16(4-7-22(27-14)31-10-17-8-18(11-31)24(17)34-3)12-32-13-19(9-26-32)25(33)28-21-6-5-20-15(2)29-30-23(20)21/h4,7,9,13,17-18,21,24H,5-6,8,10-12H2,1-3H3,(H,28,33)(H,29,30)/t17?,18?,21-,24?/m1/s1.
What are the key properties of 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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-(6-methoxy-3-azabicyclo[3.1.1]heptan-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 461.57 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(6-methoxy-3-azabicyclo[3.1.1]heptan-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 146371949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).