N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22ClN7O — CID 137213251

IUPACN-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1nn2c(c1C(=O)NC(C)c1cc(Cl)c3cn[nH]c3c1-c1ccccc1)NCC=C2
InChIInChI=1S/C23H22ClN7O/c1-13(28-23(32)19-21(25-2)30-31-10-6-9-26-22(19)31)15-11-17(24)16-12-27-29-20(16)18(15)14-7-4-3-5-8-14/h3-8,10-13,26H,9H2,1-2H3,(H,25,30)(H,27,29)(H,28,32)
InChIKeyRBTZTWDQNDOGDM-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.51
Rot. Bonds5

About N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137213251) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137213251
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC NameN-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1nn2c(c1C(=O)NC(C)c1cc(Cl)c3cn[nH]c3c1-c1ccccc1)NCC=C2
InChIInChI=1S/C23H22ClN7O/c1-13(28-23(32)19-21(25-2)30-31-10-6-9-26-22(19)31)15-11-17(24)16-12-27-29-20(16)18(15)14-7-4-3-5-8-14/h3-8,10-13,26H,9H2,1-2H3,(H,25,30)(H,27,29)(H,28,32)
InChIKeyRBTZTWDQNDOGDM-UHFFFAOYSA-N
XLogP4.51
TPSA99.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137213251) is N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1nn2c(c1C(=O)NC(C)c1cc(Cl)c3cn[nH]c3c1-c1ccccc1)NCC=C2.
What is the InChIKey of N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RBTZTWDQNDOGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-13(28-23(32)19-21(25-2)30-31-10-6-9-26-22(19)31)15-11-17(24)16-12-27-29-20(16)18(15)14-7-4-3-5-8-14/h3-8,10-13,26H,9H2,1-2H3,(H,25,30)(H,27,29)(H,28,32).
What are the key properties of N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-7-phenyl-1H-indazol-6-yl)ethyl]-2-(methylamino)-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137213251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).