N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H19ClN8O3 — CID 70496385

IUPACN-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
InChIKeyZKIGAFPVFDLLDE-UHFFFAOYSA-N
MW454.88 g/mol
LogP1.99
Rot. Bonds6

About N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 70496385) has the molecular formula C20H19ClN8O3 and a molecular weight of 454.88 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID70496385
Molecular FormulaC20H19ClN8O3
Molecular Weight454.88 g/mol
Exact Mass454.13
IUPAC NameN-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
InChIKeyZKIGAFPVFDLLDE-UHFFFAOYSA-N
XLogP1.99
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 70496385) is N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZKIGAFPVFDLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31).
What are the key properties of N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.88 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70496385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).