N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine

C28H30N8OS — CID 57473339

IUPACN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESc1ccc(NC2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)nc1
InChIInChI=1S/C28H30N8OS/c1-2-9-29-25(6-1)31-19-7-10-35(11-8-19)18-20-16-24-26(38-20)28(36-12-14-37-15-13-36)33-27(32-24)21-4-3-5-23-22(21)17-30-34-23/h1-6,9,16-17,19H,7-8,10-15,18H2,(H,29,31)(H,30,34)
InChIKeyFSUPDVWHNRURLF-UHFFFAOYSA-N
MW526.67 g/mol
LogP4.54
Rot. Bonds6

About N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine

N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine (PubChem CID 57473339) has the molecular formula C28H30N8OS and a molecular weight of 526.67 g/mol. Its IUPAC name is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine
PubChem CID57473339
Molecular FormulaC28H30N8OS
Molecular Weight526.67 g/mol
Exact Mass526.23
IUPAC NameN-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine
SMILESc1ccc(NC2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)nc1
InChIInChI=1S/C28H30N8OS/c1-2-9-29-25(6-1)31-19-7-10-35(11-8-19)18-20-16-24-26(38-20)28(36-12-14-37-15-13-36)33-27(32-24)21-4-3-5-23-22(21)17-30-34-23/h1-6,9,16-17,19H,7-8,10-15,18H2,(H,29,31)(H,30,34)
InChIKeyFSUPDVWHNRURLF-UHFFFAOYSA-N
XLogP4.54
TPSA95.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.67
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine (CID 57473339) is N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine is c1ccc(NC2CCN(Cc3cc4nc(-c5cccc6[nH]ncc56)nc(N5CCOCC5)c4s3)CC2)nc1.
What is the InChIKey of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine?
The InChIKey is FSUPDVWHNRURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8OS/c1-2-9-29-25(6-1)31-19-7-10-35(11-8-19)18-20-16-24-26(38-20)28(36-12-14-37-15-13-36)33-27(32-24)21-4-3-5-23-22(21)17-30-34-23/h1-6,9,16-17,19H,7-8,10-15,18H2,(H,29,31)(H,30,34).
What are the key properties of N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine?
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine has a molecular weight of 526.67 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 57473339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).