6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N5O2 — CID 126763817

IUPAC6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30)
InChIKeyZDMAVBWKKIVZLQ-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.37
Rot. Bonds4

About 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763817) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763817
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30)
InChIKeyZDMAVBWKKIVZLQ-UHFFFAOYSA-N
XLogP3.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241809
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449792
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[(3S)-oxolan-3-yl]pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449895
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-[(3R)-oxolan-3-yl]pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449905
N-[(1R,2S)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-(oxan-3-yl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449913
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[6-[(3R)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457581
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxolan-3-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383307
N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrazolo[5,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146383371
N-[(1S)-2,2-difluorocyclobutyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559243
N-(2,2-difluorocyclobutyl)-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146559246
5-[1-[(3R,4S)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560206
5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146560207

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763817) is 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1.
What is the InChIKey of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZDMAVBWKKIVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30).
What are the key properties of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).