5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C30H22FN5O2 — CID 134306328

IUPAC5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C30H22FN5O2/c1-38-23-15-12-20(13-16-23)26-28(33-24-17-14-22(31)18-32-24)34-29-25(19-8-4-2-5-9-19)27(35-36(29)30(26)37)21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33)
InChIKeyQHAKNQQRPRPMKM-UHFFFAOYSA-N
MW503.54 g/mol
LogP6.31
Rot. Bonds6

About 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134306328) has the molecular formula C30H22FN5O2 and a molecular weight of 503.54 g/mol. Its IUPAC name is 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134306328
Molecular FormulaC30H22FN5O2
Molecular Weight503.54 g/mol
Exact Mass503.18
IUPAC Name5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C30H22FN5O2/c1-38-23-15-12-20(13-16-23)26-28(33-24-17-14-22(31)18-32-24)34-29-25(19-8-4-2-5-9-19)27(35-36(29)30(26)37)21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33)
InChIKeyQHAKNQQRPRPMKM-UHFFFAOYSA-N
XLogP6.31
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Cyclohex-1-en-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134307820
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
7-(4-methoxyphenyl)-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016887
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyrazin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307517
2-(4-methoxyphenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 795395
3-fluoro-N-[6-[(4-methoxybenzoyl)amino]-3-pyridinyl]benzamide
CID 1452926
N-[5-(4-Methoxyphenyl)pyridin-2-yl]benzamide
CID 24949559
7-methoxy-2-pyridin-2-yl-4,5-dihydro-2H-benzo[e]indazol-1-ol
CID 25016889
4-(4-Methoxyphenyl)-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-5-ol
CID 25097579
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrazin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305907
3-(2-fluorophenyl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305908

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134306328) is 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccc(F)cn3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QHAKNQQRPRPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN5O2/c1-38-23-15-12-20(13-16-23)26-28(33-24-17-14-22(31)18-32-24)34-29-25(19-8-4-2-5-9-19)27(35-36(29)30(26)37)21-10-6-3-7-11-21/h2-18,35H,1H3,(H,32,33).
What are the key properties of 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 503.54 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-pyridinyl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134306328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).