1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

C23H27N7O2 — CID 156826705

IUPAC1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCn1cnc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4(CC4)C3)nc2CO)c1
InChIInChI=1S/C23H27N7O2/c1-28-14-24-21-17(3-4-19(21)28)27-22(32)16-8-25-30(10-16)9-15-2-5-20(26-18(15)11-31)29-12-23(13-29)6-7-23/h2,5,8,10,14,17,31H,3-4,6-7,9,11-13H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyVAQGVGFUBXWKSJ-QGZVFWFLSA-N
MW433.52 g/mol
LogP1.57
Rot. Bonds6

About 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide

1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (PubChem CID 156826705) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
PubChem CID156826705
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
SMILESCn1cnc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4(CC4)C3)nc2CO)c1
InChIInChI=1S/C23H27N7O2/c1-28-14-24-21-17(3-4-19(21)28)27-22(32)16-8-25-30(10-16)9-15-2-5-20(26-18(15)11-31)29-12-23(13-29)6-7-23/h2,5,8,10,14,17,31H,3-4,6-7,9,11-13H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyVAQGVGFUBXWKSJ-QGZVFWFLSA-N
XLogP1.57
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826584
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-hydroxypropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826491
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826403
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-cyanopropan-2-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156825967
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826349
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826148
1-[[2-cyano-4-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)phenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826266
1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-3-(hydroxymethyl)-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826217
1-[[2-(6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826214
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-fluorophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826687
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-(methyliminomethyl)phenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 166753492
1-[[6-(3-methoxy-3-methylazetidin-1-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]pyrazole-4-carboxamide
CID 146371888

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide (CID 156826705) is 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is Cn1cnc2c1CC[C@H]2NC(=O)c1cnn(Cc2ccc(N3CC4(CC4)C3)nc2CO)c1.
What is the InChIKey of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
The InChIKey is VAQGVGFUBXWKSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-28-14-24-21-17(3-4-19(21)28)27-22(32)16-8-25-30(10-16)9-15-2-5-20(26-18(15)11-31)29-12-23(13-29)6-7-23/h2,5,8,10,14,17,31H,3-4,6-7,9,11-13H2,1H3,(H,27,32)/t17-/m1/s1.
What are the key properties of 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide?
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 156826705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).