2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27ClN8O3 — CID 154962556

IUPAC2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C1NN(CCN2CCOCC2)C=C1NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C23H27ClN8O3/c1-34-18-4-3-15(24)13-16(18)20-17(14-31(28-20)8-7-30-9-11-35-12-10-30)27-23(33)19-21(25)29-32-6-2-5-26-22(19)32/h2-6,13-14,20,28H,7-12H2,1H3,(H2,25,29)(H,27,33)
InChIKeySRZFHEAEEIOMBI-UHFFFAOYSA-N
MW498.98 g/mol
LogP1.44
Rot. Bonds7

About 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154962556) has the molecular formula C23H27ClN8O3 and a molecular weight of 498.98 g/mol. Its IUPAC name is 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154962556
Molecular FormulaC23H27ClN8O3
Molecular Weight498.98 g/mol
Exact Mass498.19
IUPAC Name2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C1NN(CCN2CCOCC2)C=C1NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C23H27ClN8O3/c1-34-18-4-3-15(24)13-16(18)20-17(14-31(28-20)8-7-30-9-11-35-12-10-30)27-23(33)19-21(25)29-32-6-2-5-26-22(19)32/h2-6,13-14,20,28H,7-12H2,1H3,(H2,25,29)(H,27,33)
InChIKeySRZFHEAEEIOMBI-UHFFFAOYSA-N
XLogP1.44
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.98
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154962556) is 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(Cl)cc1C1NN(CCN2CCOCC2)C=C1NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SRZFHEAEEIOMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN8O3/c1-34-18-4-3-15(24)13-16(18)20-17(14-31(28-20)8-7-30-9-11-35-12-10-30)27-23(33)19-21(25)29-32-6-2-5-26-22(19)32/h2-6,13-14,20,28H,7-12H2,1H3,(H2,25,29)(H,27,33).
What are the key properties of 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.98 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1,5-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154962556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).