2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide

C23H26N4O2 — CID 118018100

IUPAC2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
SMILESCCC(O)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2
InChIInChI=1S/C23H26N4O2/c1-2-19(28)23-13-22(23,10-11-25-14-23)16-6-8-17(9-7-16)27-12-15-4-3-5-18(21(24)29)20(15)26-27/h3-9,12,19,25,28H,2,10-11,13-14H2,1H3,(H2,24,29)
InChIKeySHTHUEKUAMQPRG-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.52
Rot. Bonds5

About 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide

2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide (PubChem CID 118018100) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
PubChem CID118018100
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
SMILESCCC(O)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2
InChIInChI=1S/C23H26N4O2/c1-2-19(28)23-13-22(23,10-11-25-14-23)16-6-8-17(9-7-16)27-12-15-4-3-5-18(21(24)29)20(15)26-27/h3-9,12,19,25,28H,2,10-11,13-14H2,1H3,(H2,24,29)
InChIKeySHTHUEKUAMQPRG-UHFFFAOYSA-N
XLogP2.52
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide (CID 118018100) is 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide is CCC(O)C12CNCCC1(c1ccc(-n3cc4cccc(C(N)=O)c4n3)cc1)C2.
What is the InChIKey of 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
The InChIKey is SHTHUEKUAMQPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-19(28)23-13-22(23,10-11-25-14-23)16-6-8-17(9-7-16)27-12-15-4-3-5-18(21(24)29)20(15)26-27/h3-9,12,19,25,28H,2,10-11,13-14H2,1H3,(H2,24,29).
What are the key properties of 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide?
2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 118018100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).