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

C21H20ClN9O2 — CID 137449754

IUPAC5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(-c3ccnc(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H20ClN9O2/c1-11-24-6-5-17(26-11)30-10-12(22)7-15(21(30)33)28-16-8-18(23-2)31-19(29-16)14(9-25-31)20(32)27-13-3-4-13/h5-10,13,23H,3-4H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyGJWFBJXYXVNPDX-UHFFFAOYSA-N
MW465.91 g/mol
LogP2.31
Rot. Bonds6

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

5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449754) has the molecular formula C21H20ClN9O2 and a molecular weight of 465.91 g/mol. Its IUPAC name is 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449754
Molecular FormulaC21H20ClN9O2
Molecular Weight465.91 g/mol
Exact Mass465.14
IUPAC Name5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(Cl)cn(-c3ccnc(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H20ClN9O2/c1-11-24-6-5-17(26-11)30-10-12(22)7-15(21(30)33)28-16-8-18(23-2)31-19(29-16)14(9-25-31)20(32)27-13-3-4-13/h5-10,13,23H,3-4H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyGJWFBJXYXVNPDX-UHFFFAOYSA-N
XLogP2.31
TPSA131.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.91
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449754) is 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(-c3ccnc(C)n3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GJWFBJXYXVNPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN9O2/c1-11-24-6-5-17(26-11)30-10-12(22)7-15(21(30)33)28-16-8-18(23-2)31-19(29-16)14(9-25-31)20(32)27-13-3-4-13/h5-10,13,23H,3-4H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.91 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 5-[[5-chloro-1-(2-methylpyrimidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).