6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

C27H28N4O3 — CID 44583349

IUPAC6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1nccc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C27H28N4O3/c1-30-23(9-12-28-30)19-7-8-25-21(15-19)24(32)17-27(34-25)10-13-31(14-11-27)26(33)29-22-16-20(22)18-5-3-2-4-6-18/h2-9,12,15,20,22H,10-11,13-14,16-17H2,1H3,(H,29,33)/t20-,22+/m1/s1
InChIKeyKVNUPZLQKXFWBS-IRLDBZIGSA-N
MW456.55 g/mol
LogP4.15
Rot. Bonds3

About 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide

6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (PubChem CID 44583349) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
PubChem CID44583349
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
SMILESCn1nccc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC1)O2
InChIInChI=1S/C27H28N4O3/c1-30-23(9-12-28-30)19-7-8-25-21(15-19)24(32)17-27(34-25)10-13-31(14-11-27)26(33)29-22-16-20(22)18-5-3-2-4-6-18/h2-9,12,15,20,22H,10-11,13-14,16-17H2,1H3,(H,29,33)/t20-,22+/m1/s1
InChIKeyKVNUPZLQKXFWBS-IRLDBZIGSA-N
XLogP4.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide with MolForge

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Related Compounds

4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4-yl)spiro[chroman-2,4''-piperidine]-1''-carboxamide
CID 44583287
6-[(2-methylpyrazol-3-yl)amino]-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 44583350
US10844044, Example 304
CID 146455711
US10844044, Example 209
CID 146455739
US10844044, Example 210
CID 146456771
US10844044, Example 347
CID 146456898
US10844044, Example 349
CID 146457363
4-[2-carbamoyl-4-(1-methylpyrazol-4-yl)phenoxy]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 145970062
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methylpyrazol-3-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134808532
1'-[(2-methylpyrazol-3-yl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 134792836
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134810424
6-(2-methoxyphenyl)-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134810425

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide (CID 44583349) is 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is Cn1nccc1-c1ccc2c(c1)C(=O)CC1(CCN(C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC1)O2.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is KVNUPZLQKXFWBS-IRLDBZIGSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-30-23(9-12-28-30)19-7-8-25-21(15-19)24(32)17-27(34-25)10-13-31(14-11-27)26(33)29-22-16-20(22)18-5-3-2-4-6-18/h2-9,12,15,20,22H,10-11,13-14,16-17H2,1H3,(H,29,33)/t20-,22+/m1/s1.
What are the key properties of 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide?
6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-4-oxo-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).