(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C22H37N5O — CID 97189004

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCn1ncc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c1C
InChIInChI=1S/C22H37N5O/c1-4-10-27-18(2)20(14-23-27)16-25-13-12-24(3)22(17-25)8-7-21(28)26(11-9-22)15-19-5-6-19/h14,19H,4-13,15-17H2,1-3H3/t22-/m0/s1
InChIKeyUVPZHXNUKRDICA-QFIPXVFZSA-N
MW387.57 g/mol
LogP2.51
Rot. Bonds6

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97189004) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97189004
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCCn1ncc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c1C
InChIInChI=1S/C22H37N5O/c1-4-10-27-18(2)20(14-23-27)16-25-13-12-24(3)22(17-25)8-7-21(28)26(11-9-22)15-19-5-6-19/h14,19H,4-13,15-17H2,1-3H3/t22-/m0/s1
InChIKeyUVPZHXNUKRDICA-QFIPXVFZSA-N
XLogP2.51
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97189004) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CCCn1ncc(CN2CCN(C)[C@]3(CCC(=O)N(CC4CC4)CC3)C2)c1C.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is UVPZHXNUKRDICA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H37N5O/c1-4-10-27-18(2)20(14-23-27)16-25-13-12-24(3)22(17-25)8-7-21(28)26(11-9-22)15-19-5-6-19/h14,19H,4-13,15-17H2,1-3H3/t22-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 387.57 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97189004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).