1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

C26H21N5OS — CID 11259499

IUPAC1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
InChIKeyFFQLXAQWHRYUNK-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.56
Rot. Bonds4

About 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 11259499) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID11259499
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC Name1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)cnc(N)c34)cc2)c1
InChIInChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32)
InChIKeyFFQLXAQWHRYUNK-UHFFFAOYSA-N
XLogP6.56
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 72
CID 6539979
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 26
CID 6540003
Thienopyrimidine deriv. 60
CID 6540010
Thienopyrimidine deriv. 61
CID 6540011
Thienopyrimidine deriv. 79
CID 6540012
Thienopyrimidine deriv. 80
CID 6540013
Thienopyrimidine deriv. 81
CID 6540014
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea (CID 11259499) is 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cccnc5)cnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is FFQLXAQWHRYUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS/c1-16-4-2-6-20(12-16)31-26(32)30-19-9-7-17(8-10-19)22-15-33-24-21(14-29-25(27)23(22)24)18-5-3-11-28-13-18/h2-15H,1H3,(H2,27,29)(H2,30,31,32).
What are the key properties of 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 451.56 g/mol, XLogP of 6.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11259499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).