1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C22H34N4O — CID 45196097

IUPAC1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C22H34N4O/c27-21(9-8-20-18-4-1-2-5-19(18)23-24-20)26-13-11-22(16-26)10-3-12-25(15-22)14-17-6-7-17/h17H,1-16H2,(H,23,24)
InChIKeyOCHHBEBPGGKEAQ-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.95
Rot. Bonds5

About 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 45196097) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID45196097
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C22H34N4O/c27-21(9-8-20-18-4-1-2-5-19(18)23-24-20)26-13-11-22(16-26)10-3-12-25(15-22)14-17-6-7-17/h17H,1-16H2,(H,23,24)
InChIKeyOCHHBEBPGGKEAQ-UHFFFAOYSA-N
XLogP2.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 45196097) is 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCC2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is OCHHBEBPGGKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c27-21(9-8-20-18-4-1-2-5-19(18)23-24-20)26-13-11-22(16-26)10-3-12-25(15-22)14-17-6-7-17/h17H,1-16H2,(H,23,24).
What are the key properties of 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 45196097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).