[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone

C24H27N7O2S — CID 71157138

IUPAC[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone
SMILESCNC1CCN(C(=O)c2cc3nc(-c4cccc5c4cnn5C)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C24H27N7O2S/c1-25-15-6-7-31(14-15)24(32)20-12-18-21(34-20)23(30-8-10-33-11-9-30)28-22(27-18)16-4-3-5-19-17(16)13-26-29(19)2/h3-5,12-13,15,25H,6-11,14H2,1-2H3
InChIKeyGGROSLSNQNRCJX-UHFFFAOYSA-N
MW477.59 g/mol
LogP2.52
Rot. Bonds4

About [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone

[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone (PubChem CID 71157138) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone
PubChem CID71157138
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone
SMILESCNC1CCN(C(=O)c2cc3nc(-c4cccc5c4cnn5C)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C24H27N7O2S/c1-25-15-6-7-31(14-15)24(32)20-12-18-21(34-20)23(30-8-10-33-11-9-30)28-22(27-18)16-4-3-5-19-17(16)13-26-29(19)2/h3-5,12-13,15,25H,6-11,14H2,1-2H3
InChIKeyGGROSLSNQNRCJX-UHFFFAOYSA-N
XLogP2.52
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone?
The IUPAC name of [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone (CID 71157138) is [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone?
The canonical SMILES for [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone is CNC1CCN(C(=O)c2cc3nc(-c4cccc5c4cnn5C)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone?
The InChIKey is GGROSLSNQNRCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-25-15-6-7-31(14-15)24(32)20-12-18-21(34-20)23(30-8-10-33-11-9-30)28-22(27-18)16-4-3-5-19-17(16)13-26-29(19)2/h3-5,12-13,15,25H,6-11,14H2,1-2H3.
What are the key properties of [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone?
[3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone has a molecular weight of 477.59 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)pyrrolidin-1-yl]-[2-(1-methylindazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 71157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).