(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H28F3N5O2 — CID 135963327

IUPAC(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)C1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)N3CCOCC3)cc2N1
InChIInChI=1S/C18H28F3N5O2/c1-11(2)13-8-15(18(19,20)21)26-16(23-13)9-14(24-26)17(27)22-10-12(3)25-4-6-28-7-5-25/h9,11-13,15,23H,4-8,10H2,1-3H3,(H,22,27)/t12-,13?,15-/m1/s1
InChIKeyBBIHQBUNDHBWKL-ILWWEHDPSA-N
MW403.45 g/mol
LogP2.28
Rot. Bonds5

About (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135963327) has the molecular formula C18H28F3N5O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135963327
Molecular FormulaC18H28F3N5O2
Molecular Weight403.45 g/mol
Exact Mass403.22
IUPAC Name(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(C)C1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)N3CCOCC3)cc2N1
InChIInChI=1S/C18H28F3N5O2/c1-11(2)13-8-15(18(19,20)21)26-16(23-13)9-14(24-26)17(27)22-10-12(3)25-4-6-28-7-5-25/h9,11-13,15,23H,4-8,10H2,1-3H3,(H,22,27)/t12-,13?,15-/m1/s1
InChIKeyBBIHQBUNDHBWKL-ILWWEHDPSA-N
XLogP2.28
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Related Compounds

(R)-7-isopropyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 157049303
Vps34-IN-3
CID 157049304
(7R)-7-cyclopropyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276606
(R)-7'-cyclopropyl-2'-((R)-3-methylmorpholino)-7'H-spiro[cyclopropane-1,6'-pyrazolo[1,5-a]pyrazin]-4'(5'H)-one
CID 163276635
(6S,7R)-7-cyclopropyl-6-methyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276641
(S)-7-(2-hydroxypropan-2-yl)-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276666
(S)-2-((R)-3-methylmorpholino)-7-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276679
(R)-2-((R)-3-methylmorpholino)-6-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276686
(6S,7R)-6,7-dicyclopropyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276692
(R)-7-(tert-butyl)-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276696
(R)-7-cyclobutyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276705
(R)-7-cyclopentyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 163276709

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 135963327) is (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(C)C1C[C@H](C(F)(F)F)n2nc(C(=O)NC[C@@H](C)N3CCOCC3)cc2N1.
What is the InChIKey of (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BBIHQBUNDHBWKL-ILWWEHDPSA-N. The full InChI is InChI=1S/C18H28F3N5O2/c1-11(2)13-8-15(18(19,20)21)26-16(23-13)9-14(24-26)17(27)22-10-12(3)25-4-6-28-7-5-25/h9,11-13,15,23H,4-8,10H2,1-3H3,(H,22,27)/t12-,13?,15-/m1/s1.
What are the key properties of (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
(5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(2R)-2-morpholin-4-ylpropyl]-5-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135963327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).