1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone

C28H35FN8O3 — CID 147220409

IUPAC1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C(=O)CN5CCOCC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H35FN8O3/c1-17(2)23-24-20(33-26(23)19-11-21(39-4)27-31-16-32-37(27)14-19)12-30-28(25(24)29)36-6-5-35(13-18(36)3)22(38)15-34-7-9-40-10-8-34/h11-12,14,16-18,33H,5-10,13,15H2,1-4H3/t18-/m1/s1
InChIKeyCGYJNIXHONQKDH-GOSISDBHSA-N
MW550.64 g/mol
LogP2.91
Rot. Bonds6

About 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone

1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 147220409) has the molecular formula C28H35FN8O3 and a molecular weight of 550.64 g/mol. Its IUPAC name is 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID147220409
Molecular FormulaC28H35FN8O3
Molecular Weight550.64 g/mol
Exact Mass550.28
IUPAC Name1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cc(-c2[nH]c3cnc(N4CCN(C(=O)CN5CCOCC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C28H35FN8O3/c1-17(2)23-24-20(33-26(23)19-11-21(39-4)27-31-16-32-37(27)14-19)12-30-28(25(24)29)36-6-5-35(13-18(36)3)22(38)15-34-7-9-40-10-8-34/h11-12,14,16-18,33H,5-10,13,15H2,1-4H3/t18-/m1/s1
InChIKeyCGYJNIXHONQKDH-GOSISDBHSA-N
XLogP2.91
TPSA104.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone (CID 147220409) is 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone is COc1cc(-c2[nH]c3cnc(N4CCN(C(=O)CN5CCOCC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is CGYJNIXHONQKDH-GOSISDBHSA-N. The full InChI is InChI=1S/C28H35FN8O3/c1-17(2)23-24-20(33-26(23)19-11-21(39-4)27-31-16-32-37(27)14-19)12-30-28(25(24)29)36-6-5-35(13-18(36)3)22(38)15-34-7-9-40-10-8-34/h11-12,14,16-18,33H,5-10,13,15H2,1-4H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone?
1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 550.64 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-[4-fluoro-2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-5-yl]-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 147220409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).