2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one

C23H30ClN7O4 — CID 58278300

IUPAC2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)N(C(=O)CCCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C23H30ClN7O4/c1-14-11-26-16(15(2)20(14)34-3)12-30-13-18(33)31(19-21(24)27-23(25)28-22(19)30)17(32)5-4-6-29-7-9-35-10-8-29/h11H,4-10,12-13H2,1-3H3,(H2,25,27,28)
InChIKeyDVUOWWSWZYBNPA-UHFFFAOYSA-N
MW503.99 g/mol
LogP1.72
Rot. Bonds7

About 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one (PubChem CID 58278300) has the molecular formula C23H30ClN7O4 and a molecular weight of 503.99 g/mol. Its IUPAC name is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one
PubChem CID58278300
Molecular FormulaC23H30ClN7O4
Molecular Weight503.99 g/mol
Exact Mass503.20
IUPAC Name2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one
SMILESCOc1c(C)cnc(CN2CC(=O)N(C(=O)CCCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C23H30ClN7O4/c1-14-11-26-16(15(2)20(14)34-3)12-30-13-18(33)31(19-21(24)27-23(25)28-22(19)30)17(32)5-4-6-29-7-9-35-10-8-29/h11H,4-10,12-13H2,1-3H3,(H2,25,27,28)
InChIKeyDVUOWWSWZYBNPA-UHFFFAOYSA-N
XLogP1.72
TPSA127.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.99
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane
CID 143894167
2-amino-6-chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(2-morpholin-4-ylethyl)purin-8-one
CID 87691956
2-amino-4-chloro-5-(2-hydroxyethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pteridin-6-one;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one;2-[2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-oxo-7H-pteridin-5-yl]-N,N-diethylacetamide;2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-pyrrolidin-1-ylethyl)-7H-pteridin-6-one
CID 159804372
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
2-amino-4-bromo-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one
CID 58278361
[(5S)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methylurea
CID 87576733
2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[[4-(2-morpholin-4-ylacetyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
CID 76739366
1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol
CID 88579415
2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane
CID 162740570
2-amino-4-chloro-6-(cyclopentylmethylidene)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrido[2,3-d]pyrimidin-5-one
CID 75034193
2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methylidene-5-(2-pyrrolidin-1-ylethyl)pteridin-6-one
CID 163807947
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-6-(oxan-4-yl)pyrido[2,3-d]pyrimidin-5-one
CID 58278633

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one?
The IUPAC name of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one (CID 58278300) is 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one.
What is the SMILES notation for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one?
The canonical SMILES for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one is COc1c(C)cnc(CN2CC(=O)N(C(=O)CCCN3CCOCC3)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one?
The InChIKey is DVUOWWSWZYBNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN7O4/c1-14-11-26-16(15(2)20(14)34-3)12-30-13-18(33)31(19-21(24)27-23(25)28-22(19)30)17(32)5-4-6-29-7-9-35-10-8-29/h11H,4-10,12-13H2,1-3H3,(H2,25,27,28).
What are the key properties of 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one?
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one has a molecular weight of 503.99 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(4-morpholin-4-ylbutanoyl)-7H-pteridin-6-one is sourced from PubChem (CID 58278300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).