5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide

C27H28N6O2S — CID 171353264

IUPAC5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C27H28N6O2S/c1-18(19-7-5-4-6-8-19)35-23-14-24(36-26(23)27(28)34)22-16-29-25-13-20(9-10-33(22)25)21-15-30-32(17-21)12-11-31(2)3/h4-10,13-18H,11-12H2,1-3H3,(H2,28,34)
InChIKeyMWNXJKHLSNNUHH-UHFFFAOYSA-N
MW500.63 g/mol
LogP4.73
Rot. Bonds9

About 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide

5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (PubChem CID 171353264) has the molecular formula C27H28N6O2S and a molecular weight of 500.63 g/mol. Its IUPAC name is 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
PubChem CID171353264
Molecular FormulaC27H28N6O2S
Molecular Weight500.63 g/mol
Exact Mass500.20
IUPAC Name5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C27H28N6O2S/c1-18(19-7-5-4-6-8-19)35-23-14-24(36-26(23)27(28)34)22-16-29-25-13-20(9-10-33(22)25)21-15-30-32(17-21)12-11-31(2)3/h4-10,13-18H,11-12H2,1-3H3,(H2,28,34)
InChIKeyMWNXJKHLSNNUHH-UHFFFAOYSA-N
XLogP4.73
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (CID 171353264) is 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)sc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The InChIKey is MWNXJKHLSNNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2S/c1-18(19-7-5-4-6-8-19)35-23-14-24(36-26(23)27(28)34)22-16-29-25-13-20(9-10-33(22)25)21-15-30-32(17-21)12-11-31(2)3/h4-10,13-18H,11-12H2,1-3H3,(H2,28,34).
What are the key properties of 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide has a molecular weight of 500.63 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 171353264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).