(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide

C22H37N5O2 — CID 90065252

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2
InChIInChI=1S/C22H37N5O2/c1-15(27(16-6-7-16)21(28)18-14-24-11-13-29-18)19-17-8-9-22(2,3)20(17)26(25-19)12-5-10-23-4/h15-16,18,23-24H,5-14H2,1-4H3/t15-,18-/m1/s1
InChIKeyWSKXFXRPZKEDFY-CRAIPNDOSA-N
MW403.57 g/mol
LogP1.76
Rot. Bonds8

About (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065252) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065252
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide
SMILESCNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2
InChIInChI=1S/C22H37N5O2/c1-15(27(16-6-7-16)21(28)18-14-24-11-13-29-18)19-17-8-9-22(2,3)20(17)26(25-19)12-5-10-23-4/h15-16,18,23-24H,5-14H2,1-4H3/t15-,18-/m1/s1
InChIKeyWSKXFXRPZKEDFY-CRAIPNDOSA-N
XLogP1.76
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide (CID 90065252) is (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide is CNCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is WSKXFXRPZKEDFY-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-15(27(16-6-7-16)21(28)18-14-24-11-13-29-18)19-17-8-9-22(2,3)20(17)26(25-19)12-5-10-23-4/h15-16,18,23-24H,5-14H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[6,6-dimethyl-1-[3-(methylamino)propyl]-4,5-dihydrocyclopenta[d]pyrazol-3-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).