(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C22H30FN5O2 — CID 90065234

IUPAC(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESC[C@H](c1cc(-c2ccccc2)n(CC(F)CN)n1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C22H30FN5O2/c1-15(28(18-7-8-18)22(29)21-13-25-9-10-30-21)19-11-20(16-5-3-2-4-6-16)27(26-19)14-17(23)12-24/h2-6,11,15,17-18,21,25H,7-10,12-14,24H2,1H3/t15-,17?,21-/m1/s1
InChIKeyITGIBDHVRWAXLM-IKZMBGHXSA-N
MW415.51 g/mol
LogP1.89
Rot. Bonds8

About (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 90065234) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID90065234
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESC[C@H](c1cc(-c2ccccc2)n(CC(F)CN)n1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C22H30FN5O2/c1-15(28(18-7-8-18)22(29)21-13-25-9-10-30-21)19-11-20(16-5-3-2-4-6-16)27(26-19)14-17(23)12-24/h2-6,11,15,17-18,21,25H,7-10,12-14,24H2,1H3/t15-,17?,21-/m1/s1
InChIKeyITGIBDHVRWAXLM-IKZMBGHXSA-N
XLogP1.89
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methyl-4-(trifluoromethyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309974
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(4-methoxybutyl)indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 89939558
(2R)-N-cyclopropyl-N-[(1R)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 117877381
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 24817646
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)indazol-3-yl]methyl]morpholine-2-carboxamide
CID 25124582
(2R)-N-cyclopropyl-N-[(1R)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 66551447
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309757
(2R)-N-cyclopropyl-N-[(1S)-1-[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68309979
(2R)-N-cyclopropyl-N-[(1S)-1-[1-(3-methoxypropyl)-3-methylindazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310592
(2R)-N-cyclopropyl-N-[(1R)-1-[3-fluoro-1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 68310604
(2R)-N-cyclopropyl-N-[(1R)-1-[1-[2-(2-methoxyethoxy)ethyl]indazol-3-yl]ethyl]morpholine-2-carboxamide
CID 68310607
(2R)-N-cyclopropyl-N-[(1S)-1-[3-fluoro-1-(3-methoxypropyl)indazol-6-yl]ethyl]morpholine-2-carboxamide
CID 89939719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 90065234) is (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is C[C@H](c1cc(-c2ccccc2)n(CC(F)CN)n1)N(C(=O)[C@H]1CNCCO1)C1CC1.
What is the InChIKey of (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is ITGIBDHVRWAXLM-IKZMBGHXSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-15(28(18-7-8-18)22(29)21-13-25-9-10-30-21)19-11-20(16-5-3-2-4-6-16)27(26-19)14-17(23)12-24/h2-6,11,15,17-18,21,25H,7-10,12-14,24H2,1H3/t15-,17?,21-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[1-(3-amino-2-fluoropropyl)-5-phenylpyrazol-3-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 90065234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).