N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide

C24H33N5O2 — CID 177286933

IUPACN-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)[C@H](CCN(C)C)c2cncc3cn[nH]c23)ccc1C(C)C
InChIInChI=1S/C24H33N5O2/c1-7-31-22-12-17(8-9-19(22)16(2)3)24(30)29(6)21(10-11-28(4)5)20-15-25-13-18-14-26-27-23(18)20/h8-9,12-16,21H,7,10-11H2,1-6H3,(H,26,27)/t21-/m1/s1
InChIKeyWYDPQQMIRBQNIA-OAQYLSRUSA-N
MW423.56 g/mol
LogP4.24
Rot. Bonds9

About N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide

N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide (PubChem CID 177286933) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide
PubChem CID177286933
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(C)[C@H](CCN(C)C)c2cncc3cn[nH]c23)ccc1C(C)C
InChIInChI=1S/C24H33N5O2/c1-7-31-22-12-17(8-9-19(22)16(2)3)24(30)29(6)21(10-11-28(4)5)20-15-25-13-18-14-26-27-23(18)20/h8-9,12-16,21H,7,10-11H2,1-6H3,(H,26,27)/t21-/m1/s1
InChIKeyWYDPQQMIRBQNIA-OAQYLSRUSA-N
XLogP4.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide?
The IUPAC name of N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide (CID 177286933) is N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide is CCOc1cc(C(=O)N(C)[C@H](CCN(C)C)c2cncc3cn[nH]c23)ccc1C(C)C.
What is the InChIKey of N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide?
The InChIKey is WYDPQQMIRBQNIA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-7-31-22-12-17(8-9-19(22)16(2)3)24(30)29(6)21(10-11-28(4)5)20-15-25-13-18-14-26-27-23(18)20/h8-9,12-16,21H,7,10-11H2,1-6H3,(H,26,27)/t21-/m1/s1.
What are the key properties of N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide?
N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide has a molecular weight of 423.56 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(dimethylamino)-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)propyl]-3-ethoxy-N-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 177286933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).