4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one

C23H24ClN7O — CID 177012241

IUPAC4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
SMILESCc1c(Nc2nc(Cl)nc3c2CN(C)CC3)ncc2c1-c1[nH]c3c(c1CC2)C(=O)NCC3
InChIInChI=1S/C23H24ClN7O/c1-11-17-12(3-4-13-18-16(27-19(13)17)5-7-25-22(18)32)9-26-20(11)29-21-14-10-31(2)8-6-15(14)28-23(24)30-21/h9,27H,3-8,10H2,1-2H3,(H,25,32)(H,26,28,29,30)
InChIKeyQVFOQHFGSWNCOS-UHFFFAOYSA-N
MW449.95 g/mol
LogP2.94
Rot. Bonds2

About 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one

4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one (PubChem CID 177012241) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one.

Molecular Properties

Compound Name4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
PubChem CID177012241
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC Name4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
SMILESCc1c(Nc2nc(Cl)nc3c2CN(C)CC3)ncc2c1-c1[nH]c3c(c1CC2)C(=O)NCC3
InChIInChI=1S/C23H24ClN7O/c1-11-17-12(3-4-13-18-16(27-19(13)17)5-7-25-22(18)32)9-26-20(11)29-21-14-10-31(2)8-6-15(14)28-23(24)30-21/h9,27H,3-8,10H2,1-2H3,(H,25,32)(H,26,28,29,30)
InChIKeyQVFOQHFGSWNCOS-UHFFFAOYSA-N
XLogP2.94
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one?
The IUPAC name of 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one (CID 177012241) is 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one.
What is the SMILES notation for 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one?
The canonical SMILES for 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one is Cc1c(Nc2nc(Cl)nc3c2CN(C)CC3)ncc2c1-c1[nH]c3c(c1CC2)C(=O)NCC3.
What is the InChIKey of 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one?
The InChIKey is QVFOQHFGSWNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-11-17-12(3-4-13-18-16(27-19(13)17)5-7-25-22(18)32)9-26-20(11)29-21-14-10-31(2)8-6-15(14)28-23(24)30-21/h9,27H,3-8,10H2,1-2H3,(H,25,32)(H,26,28,29,30).
What are the key properties of 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one?
4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one has a molecular weight of 449.95 g/mol, XLogP of 2.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]-3-methyl-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one is sourced from PubChem (CID 177012241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).