7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide

C37H31Cl2N11O2 — CID 67213266

IUPAC7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccn2)nc2c1c1ccc(Cl)cc1n2C.CN(C)C(=O)c1nc(-c2cnccn2)nc2c1c1ccc(Cl)cc1n2C
InChIInChI=1S/C19H16ClN5O.C18H15ClN6O/c1-24(2)19(26)16-15-12-8-7-11(20)10-14(12)25(3)18(15)23-17(22-16)13-6-4-5-9-21-13;1-24(2)18(26)15-14-11-5-4-10(19)8-13(11)25(3)17(14)23-16(22-15)12-9-20-6-7-21-12/h4-10H,1-3H3;4-9H,1-3H3
InChIKeyBCTJYFJOWAHVCL-UHFFFAOYSA-N
MW732.64 g/mol
LogP6.47
Rot. Bonds4

About 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide

7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide (PubChem CID 67213266) has the molecular formula C37H31Cl2N11O2 and a molecular weight of 732.64 g/mol. Its IUPAC name is 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide
PubChem CID67213266
Molecular FormulaC37H31Cl2N11O2
Molecular Weight732.64 g/mol
Exact Mass731.20
IUPAC Name7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccn2)nc2c1c1ccc(Cl)cc1n2C.CN(C)C(=O)c1nc(-c2cnccn2)nc2c1c1ccc(Cl)cc1n2C
InChIInChI=1S/C19H16ClN5O.C18H15ClN6O/c1-24(2)19(26)16-15-12-8-7-11(20)10-14(12)25(3)18(15)23-17(22-16)13-6-4-5-9-21-13;1-24(2)18(26)15-14-11-5-4-10(19)8-13(11)25(3)17(14)23-16(22-15)12-9-20-6-7-21-12/h4-10H,1-3H3;4-9H,1-3H3
InChIKeyBCTJYFJOWAHVCL-UHFFFAOYSA-N
XLogP6.47
TPSA140.71 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500732.64
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide?
The IUPAC name of 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide (CID 67213266) is 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide.
What is the SMILES notation for 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide?
The canonical SMILES for 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide is CN(C)C(=O)c1nc(-c2ccccn2)nc2c1c1ccc(Cl)cc1n2C.CN(C)C(=O)c1nc(-c2cnccn2)nc2c1c1ccc(Cl)cc1n2C.
What is the InChIKey of 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide?
The InChIKey is BCTJYFJOWAHVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O.C18H15ClN6O/c1-24(2)19(26)16-15-12-8-7-11(20)10-14(12)25(3)18(15)23-17(22-16)13-6-4-5-9-21-13;1-24(2)18(26)15-14-11-5-4-10(19)8-13(11)25(3)17(14)23-16(22-15)12-9-20-6-7-21-12/h4-10H,1-3H3;4-9H,1-3H3.
What are the key properties of 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide?
7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide has a molecular weight of 732.64 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N,9-trimethyl-2-pyrazin-2-ylpyrimido[4,5-b]indole-4-carboxamide;7-chloro-N,N,9-trimethyl-2-pyridin-2-ylpyrimido[4,5-b]indole-4-carboxamide is sourced from PubChem (CID 67213266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).