N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16F3N7O2 — CID 137457858

IUPACN-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H16F3N7O2/c1-21-13-7-12(25-11-3-2-6-22-16(11)29-17(18,19)20)26-14-10(8-23-27(13)14)15(28)24-9-4-5-9/h2-3,6-9,21H,4-5H2,1H3,(H,24,28)(H,25,26)
InChIKeyMEIASLMHSQZSMN-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137457858) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137457858
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccnc2OC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H16F3N7O2/c1-21-13-7-12(25-11-3-2-6-22-16(11)29-17(18,19)20)26-14-10(8-23-27(13)14)15(28)24-9-4-5-9/h2-3,6-9,21H,4-5H2,1H3,(H,24,28)(H,25,26)
InChIKeyMEIASLMHSQZSMN-UHFFFAOYSA-N
XLogP2.70
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137457858) is N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccnc2OC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MEIASLMHSQZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-21-13-7-12(25-11-3-2-6-22-16(11)29-17(18,19)20)26-14-10(8-23-27(13)14)15(28)24-9-4-5-9/h2-3,6-9,21H,4-5H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137457858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).