1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one

C25H30FN7O2 — CID 78012277

IUPAC1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31)
InChIKeyXFARHUSYMQLWOM-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.29
Rot. Bonds6

About 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one

1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one (PubChem CID 78012277) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
PubChem CID78012277
Molecular FormulaC25H30FN7O2
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC Name1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2F)CC1
InChIInChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31)
InChIKeyXFARHUSYMQLWOM-UHFFFAOYSA-N
XLogP2.29
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Sovleplenib
CID 71113742
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
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CID 22030066
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
2-[[4-[5,6,7,8-Tetrahydro-4-[(3S)-3-methyl-4-morpholinyl]-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]amino]-4(3H)-pyrimidinone
CID 59239300
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
N-methyl-4-[[4-(4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 137641431
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one (CID 78012277) is 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2F)CC1.
What is the InChIKey of 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is XFARHUSYMQLWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2/c1-2-23(34)33-10-8-32(9-11-33)22-4-3-17(13-19(22)26)20-14-21-24(29-6-5-28-21)25(31-20)30-16-18-15-27-7-12-35-18/h3-6,13-14,18,27H,2,7-12,15-16H2,1H3,(H,30,31).
What are the key properties of 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one?
1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 479.56 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 78012277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).