1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione

C22H24FN5O3 — CID 22632892

IUPAC1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1CCN(c2nc3c(cc2F)c(=O)n(OCc2ccccc2)c(=O)n3C2CC2)CC1
InChIInChI=1S/C22H24FN5O3/c1-25-9-11-26(12-10-25)20-18(23)13-17-19(24-20)27(16-7-8-16)22(30)28(21(17)29)31-14-15-5-3-2-4-6-15/h2-6,13,16H,7-12,14H2,1H3
InChIKeyCZJBFYZWCLJTMW-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.41
Rot. Bonds5

About 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione

1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 22632892) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID22632892
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN1CCN(c2nc3c(cc2F)c(=O)n(OCc2ccccc2)c(=O)n3C2CC2)CC1
InChIInChI=1S/C22H24FN5O3/c1-25-9-11-26(12-10-25)20-18(23)13-17-19(24-20)27(16-7-8-16)22(30)28(21(17)29)31-14-15-5-3-2-4-6-15/h2-6,13,16H,7-12,14H2,1H3
InChIKeyCZJBFYZWCLJTMW-UHFFFAOYSA-N
XLogP1.41
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione (CID 22632892) is 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione is CN1CCN(c2nc3c(cc2F)c(=O)n(OCc2ccccc2)c(=O)n3C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CZJBFYZWCLJTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-25-9-11-26(12-10-25)20-18(23)13-17-19(24-20)27(16-7-8-16)22(30)28(21(17)29)31-14-15-5-3-2-4-6-15/h2-6,13,16H,7-12,14H2,1H3.
What are the key properties of 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-3-phenylmethoxypyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22632892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).