N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H22F2N6O2S — CID 44610179

IUPACN-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccn1
InChIInChI=1S/C26H22F2N6O2S/c1-15(2)23-21(25(35)32-12-16-6-7-18(27)19(28)11-16)22-24(34(23)14-17-5-3-4-8-29-17)33-20(13-31-22)36-26-30-9-10-37-26/h3-11,13,15H,12,14H2,1-2H3,(H,32,35)
InChIKeyKHNNZHPKYXCLIM-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.45
Rot. Bonds8

About N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 44610179) has the molecular formula C26H22F2N6O2S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID44610179
Molecular FormulaC26H22F2N6O2S
Molecular Weight520.57 g/mol
Exact Mass520.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccn1
InChIInChI=1S/C26H22F2N6O2S/c1-15(2)23-21(25(35)32-12-16-6-7-18(27)19(28)11-16)22-24(34(23)14-17-5-3-4-8-29-17)33-20(13-31-22)36-26-30-9-10-37-26/h3-11,13,15H,12,14H2,1-2H3,(H,32,35)
InChIKeyKHNNZHPKYXCLIM-UHFFFAOYSA-N
XLogP5.45
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46942984
N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
CID 46948061
US10844062, Example 8
CID 130321746
3-ethyl-6-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}-3H-imidazo[4,5-b]pyridin-2-amine
CID 70718128
US10030016, Example 8.14.3
CID 68160768
N-((3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl)thiazole-5-carboxamide
CID 171627909
2-(3,5-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44539713
2-(3,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44539714
2-(2,4-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44539817
2-(2,5-difluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44539819
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 44540671
5-benzyl-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 44610029

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 44610179) is N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ncc(Oc3nccs3)nc2n1Cc1ccccn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KHNNZHPKYXCLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2S/c1-15(2)23-21(25(35)32-12-16-6-7-18(27)19(28)11-16)22-24(34(23)14-17-5-3-4-8-29-17)33-20(13-31-22)36-26-30-9-10-37-26/h3-11,13,15H,12,14H2,1-2H3,(H,32,35).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)-3-(1,3-thiazol-2-yloxy)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 44610179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).