[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone

C20H26N4O — CID 42290626

IUPAC[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC[C@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C20H26N4O/c25-19(18-16-4-1-2-5-17(16)21-22-18)24-11-9-20(14-24)8-3-10-23(13-20)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2,(H,21,22)/t20-/m0/s1
InChIKeySFSSTOIPJYAXES-FQEVSTJZSA-N
MW338.45 g/mol
LogP2.90
Rot. Bonds3

About [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone

[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone (PubChem CID 42290626) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
PubChem CID42290626
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CC[C@]2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C20H26N4O/c25-19(18-16-4-1-2-5-17(16)21-22-18)24-11-9-20(14-24)8-3-10-23(13-20)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2,(H,21,22)/t20-/m0/s1
InChIKeySFSSTOIPJYAXES-FQEVSTJZSA-N
XLogP2.90
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone (CID 42290626) is [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CC[C@]2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is SFSSTOIPJYAXES-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O/c25-19(18-16-4-1-2-5-17(16)21-22-18)24-11-9-20(14-24)8-3-10-23(13-20)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2,(H,21,22)/t20-/m0/s1.
What are the key properties of [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone?
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 42290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).