1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide

C27H34N6O2 — CID 161125921

IUPAC1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cn(Cc4ccc(N5CC6CC6C5)nc4C)nc3C(C)(C)O)C2=NC1
InChIInChI=1S/C27H34N6O2/c1-15-10-28-24-20(15)6-7-22(24)30-26(34)21-14-33(31-25(21)27(3,4)35)13-17-5-8-23(29-16(17)2)32-11-18-9-19(18)12-32/h5,8,14,18-19,22,35H,6-7,9-13H2,1-4H3,(H,30,34)/t18?,19?,22-/m1/s1
InChIKeyJFIKUFMFKWRUIL-OBFZPWGMSA-N
MW474.61 g/mol
LogP2.98
Rot. Bonds6

About 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide (PubChem CID 161125921) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
PubChem CID161125921
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide
SMILESCC1=C2CC[C@@H](NC(=O)c3cn(Cc4ccc(N5CC6CC6C5)nc4C)nc3C(C)(C)O)C2=NC1
InChIInChI=1S/C27H34N6O2/c1-15-10-28-24-20(15)6-7-22(24)30-26(34)21-14-33(31-25(21)27(3,4)35)13-17-5-8-23(29-16(17)2)32-11-18-9-19(18)12-32/h5,8,14,18-19,22,35H,6-7,9-13H2,1-4H3,(H,30,34)/t18?,19?,22-/m1/s1
InChIKeyJFIKUFMFKWRUIL-OBFZPWGMSA-N
XLogP2.98
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide (CID 161125921) is 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide is CC1=C2CC[C@@H](NC(=O)c3cn(Cc4ccc(N5CC6CC6C5)nc4C)nc3C(C)(C)O)C2=NC1.
What is the InChIKey of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
The InChIKey is JFIKUFMFKWRUIL-OBFZPWGMSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-15-10-28-24-20(15)6-7-22(24)30-26(34)21-14-33(31-25(21)27(3,4)35)13-17-5-8-23(29-16(17)2)32-11-18-9-19(18)12-32/h5,8,14,18-19,22,35H,6-7,9-13H2,1-4H3,(H,30,34)/t18?,19?,22-/m1/s1.
What are the key properties of 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide?
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(2-hydroxypropan-2-yl)-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[b]pyrrol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 161125921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).