4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine

C25H31N7OS — CID 67492701

IUPAC4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc2c(N3CN=C(N4CCOCC4)c4cc(CN5CCN(C6CC6)CC5)sc43)cncc2[nH]1
InChIInChI=1S/C25H31N7OS/c1-2-18(1)30-7-5-29(6-8-30)16-19-13-21-24(31-9-11-33-12-10-31)28-17-32(25(21)34-19)23-15-26-14-22-20(23)3-4-27-22/h3-4,13-15,18,27H,1-2,5-12,16-17H2
InChIKeyIQBMVQYLQVUIKV-UHFFFAOYSA-N
MW477.64 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine

4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 67492701) has the molecular formula C25H31N7OS and a molecular weight of 477.64 g/mol. Its IUPAC name is 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID67492701
Molecular FormulaC25H31N7OS
Molecular Weight477.64 g/mol
Exact Mass477.23
IUPAC Name4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1cc2c(N3CN=C(N4CCOCC4)c4cc(CN5CCN(C6CC6)CC5)sc43)cncc2[nH]1
InChIInChI=1S/C25H31N7OS/c1-2-18(1)30-7-5-29(6-8-30)16-19-13-21-24(31-9-11-33-12-10-31)28-17-32(25(21)34-19)23-15-26-14-22-20(23)3-4-27-22/h3-4,13-15,18,27H,1-2,5-12,16-17H2
InChIKeyIQBMVQYLQVUIKV-UHFFFAOYSA-N
XLogP3.09
TPSA63.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine (CID 67492701) is 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine is c1cc2c(N3CN=C(N4CCOCC4)c4cc(CN5CCN(C6CC6)CC5)sc43)cncc2[nH]1.
What is the InChIKey of 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is IQBMVQYLQVUIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7OS/c1-2-18(1)30-7-5-29(6-8-30)16-19-13-21-24(31-9-11-33-12-10-31)28-17-32(25(21)34-19)23-15-26-14-22-20(23)3-4-27-22/h3-4,13-15,18,27H,1-2,5-12,16-17H2.
What are the key properties of 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 477.64 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 67492701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).