N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

C25H25N5O5S — CID 18630945

IUPACN-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C25H25N5O5S/c1-16(2)18-9-10-21(27-15-18)36(31,32)30-24-22(35-20-8-6-5-7-19(20)33-3)25(34-4)29-23(28-24)17-11-13-26-14-12-17/h5-16H,1-4H3,(H,28,29,30)
InChIKeyVGZZYWAKZYKCPI-UHFFFAOYSA-N
MW507.57 g/mol
LogP4.67
Rot. Bonds9

About N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 18630945) has the molecular formula C25H25N5O5S and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
PubChem CID18630945
Molecular FormulaC25H25N5O5S
Molecular Weight507.57 g/mol
Exact Mass507.16
IUPAC NameN-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OC
InChIInChI=1S/C25H25N5O5S/c1-16(2)18-9-10-21(27-15-18)36(31,32)30-24-22(35-20-8-6-5-7-19(20)33-3)25(34-4)29-23(28-24)17-11-13-26-14-12-17/h5-16H,1-4H3,(H,28,29,30)
InChIKeyVGZZYWAKZYKCPI-UHFFFAOYSA-N
XLogP4.67
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (CID 18630945) is N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OC.
What is the InChIKey of N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is VGZZYWAKZYKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5S/c1-16(2)18-9-10-21(27-15-18)36(31,32)30-24-22(35-20-8-6-5-7-19(20)33-3)25(34-4)29-23(28-24)17-11-13-26-14-12-17/h5-16H,1-4H3,(H,28,29,30).
What are the key properties of N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 507.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 18630945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).