10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H35N5O — CID 72893769

IUPAC10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCC(C)n1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C21H35N5O/c1-17(2)26-15-19(12-22-26)13-24-11-10-23(3)21(16-24)7-6-20(27)25(9-8-21)14-18-4-5-18/h12,15,17-18H,4-11,13-14,16H2,1-3H3
InChIKeyODVNTNIUGRWWFA-UHFFFAOYSA-N
MW373.55 g/mol
LogP2.37
Rot. Bonds5

About 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72893769) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72893769
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCC(C)n1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1
InChIInChI=1S/C21H35N5O/c1-17(2)26-15-19(12-22-26)13-24-11-10-23(3)21(16-24)7-6-20(27)25(9-8-21)14-18-4-5-18/h12,15,17-18H,4-11,13-14,16H2,1-3H3
InChIKeyODVNTNIUGRWWFA-UHFFFAOYSA-N
XLogP2.37
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72893769) is 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CC(C)n1cc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)cn1.
What is the InChIKey of 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is ODVNTNIUGRWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-17(2)26-15-19(12-22-26)13-24-11-10-23(3)21(16-24)7-6-20(27)25(9-8-21)14-18-4-5-18/h12,15,17-18H,4-11,13-14,16H2,1-3H3.
What are the key properties of 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 373.55 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-1-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72893769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).