2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

C26H31FN8O2S — CID 59605882

IUPAC2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4ncc(F)c5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-7-5-33(6-8-35)15-16-13-19-22(38-16)24(34-9-11-37-12-10-34)32-23(31-19)21-17-3-4-29-20(17)18(27)14-30-21/h3-4,13-14,29H,5-12,15H2,1-2H3,(H2,28,36)
InChIKeyJNVNUKFVUREOPQ-UHFFFAOYSA-N
MW538.65 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide

2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (PubChem CID 59605882) has the molecular formula C26H31FN8O2S and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
PubChem CID59605882
Molecular FormulaC26H31FN8O2S
Molecular Weight538.65 g/mol
Exact Mass538.23
IUPAC Name2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4ncc(F)c5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-7-5-33(6-8-35)15-16-13-19-22(38-16)24(34-9-11-37-12-10-34)32-23(31-19)21-17-3-4-29-20(17)18(27)14-30-21/h3-4,13-14,29H,5-12,15H2,1-2H3,(H2,28,36)
InChIKeyJNVNUKFVUREOPQ-UHFFFAOYSA-N
XLogP2.59
TPSA116.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide with MolForge

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Related Compounds

2-methyl-2-[4-[[2-(6-methylimidazo[1,2-a]pyridin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605549
2-methyl-2-[4-[[2-(2-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605437
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
2-[4-[[2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-4-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 59605344
2-[4-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 53378374
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
2-methyl-2-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanamide
CID 59605479
4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide (CID 59605882) is 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4ncc(F)c5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
The InChIKey is JNVNUKFVUREOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN8O2S/c1-26(2,25(28)36)35-7-5-33(6-8-35)15-16-13-19-22(38-16)24(34-9-11-37-12-10-34)32-23(31-19)21-17-3-4-29-20(17)18(27)14-30-21/h3-4,13-14,29H,5-12,15H2,1-2H3,(H2,28,36).
What are the key properties of 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide?
2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide has a molecular weight of 538.65 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 59605882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).