N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N9O2 — CID 137449910

IUPACN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C(F)(F)F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H20F3N9O2/c1-25-17-6-16(30-18-14(8-27-33(17)18)19(34)28-12-3-4-12)29-15-5-11(21(22,23)24)9-32(20(15)35)13-7-26-31(2)10-13/h5-10,12,25H,3-4H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyHQAZZKGKCJFTSV-UHFFFAOYSA-N
MW487.45 g/mol
LogP2.31
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449910) has the molecular formula C21H20F3N9O2 and a molecular weight of 487.45 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449910
Molecular FormulaC21H20F3N9O2
Molecular Weight487.45 g/mol
Exact Mass487.17
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(C(F)(F)F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H20F3N9O2/c1-25-17-6-16(30-18-14(8-27-33(17)18)19(34)28-12-3-4-12)29-15-5-11(21(22,23)24)9-32(20(15)35)13-7-26-31(2)10-13/h5-10,12,25H,3-4H2,1-2H3,(H,28,34)(H,29,30)
InChIKeyHQAZZKGKCJFTSV-UHFFFAOYSA-N
XLogP2.31
TPSA123.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.45
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449910) is N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(C(F)(F)F)cn(-c3cnn(C)c3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQAZZKGKCJFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N9O2/c1-25-17-6-16(30-18-14(8-27-33(17)18)19(34)28-12-3-4-12)29-15-5-11(21(22,23)24)9-32(20(15)35)13-7-26-31(2)10-13/h5-10,12,25H,3-4H2,1-2H3,(H,28,34)(H,29,30).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 487.45 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[1-(1-methylpyrazol-4-yl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).