N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C24H31N7O2 — CID 138686448

IUPACN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCN(C)C)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H31N7O2/c1-14(2)19-21(16-11-18(33-7)23-25-13-26-31(23)12-16)27-17-10-15(3)20(28-22(17)19)24(32)30(6)9-8-29(4)5/h10-14,27H,8-9H2,1-7H3
InChIKeyVPNBJNBAHSMSCD-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 138686448) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID138686448
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCOc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCN(C)C)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H31N7O2/c1-14(2)19-21(16-11-18(33-7)23-25-13-26-31(23)12-16)27-17-10-15(3)20(28-22(17)19)24(32)30(6)9-8-29(4)5/h10-14,27H,8-9H2,1-7H3
InChIKeyVPNBJNBAHSMSCD-UHFFFAOYSA-N
XLogP3.35
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 138686448) is N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is COc1cc(-c2[nH]c3cc(C)c(C(=O)N(C)CCN(C)C)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is VPNBJNBAHSMSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-14(2)19-21(16-11-18(33-7)23-25-13-26-31(23)12-16)27-17-10-15(3)20(28-22(17)19)24(32)30(6)9-8-29(4)5/h10-14,27H,8-9H2,1-7H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N,6-dimethyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 138686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).