N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide

C29H30N6O — CID 66678750

IUPACN-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide
SMILESCc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(CCC(=O)NC(C)N(C)C)ccc23)n1
InChIInChI=1S/C29H30N6O/c1-19-8-7-9-24(31-19)29-28(26-10-5-6-17-35(26)33-29)23-15-16-30-25-18-21(11-13-22(23)25)12-14-27(36)32-20(2)34(3)4/h5-11,13,15-18,20H,12,14H2,1-4H3,(H,32,36)
InChIKeyINPYEEHDBMHAEK-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.88
Rot. Bonds7

About N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide

N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide (PubChem CID 66678750) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide
PubChem CID66678750
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC NameN-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide
SMILESCc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(CCC(=O)NC(C)N(C)C)ccc23)n1
InChIInChI=1S/C29H30N6O/c1-19-8-7-9-24(31-19)29-28(26-10-5-6-17-35(26)33-29)23-15-16-30-25-18-21(11-13-22(23)25)12-14-27(36)32-20(2)34(3)4/h5-11,13,15-18,20H,12,14H2,1-4H3,(H,32,36)
InChIKeyINPYEEHDBMHAEK-UHFFFAOYSA-N
XLogP4.88
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide?
The IUPAC name of N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide (CID 66678750) is N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide.
What is the SMILES notation for N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide?
The canonical SMILES for N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide is Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(CCC(=O)NC(C)N(C)C)ccc23)n1.
What is the InChIKey of N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide?
The InChIKey is INPYEEHDBMHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-19-8-7-9-24(31-19)29-28(26-10-5-6-17-35(26)33-29)23-15-16-30-25-18-21(11-13-22(23)25)12-14-27(36)32-20(2)34(3)4/h5-11,13,15-18,20H,12,14H2,1-4H3,(H,32,36).
What are the key properties of N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide?
N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide has a molecular weight of 478.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethyl]-3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanamide is sourced from PubChem (CID 66678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).