1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol

C19H23N5O2S — CID 70792558

IUPAC1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C19H23N5O2S/c1-11-10-20-19(16-6-5-15(27-16)14(25)7-8-26-2)22-18(11)21-17-9-13(23-24-17)12-3-4-12/h5-6,9-10,12,14,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySXPVQHOOUQTJOA-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.93
Rot. Bonds8

About 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol

1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol (PubChem CID 70792558) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
PubChem CID70792558
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
SMILESCOCCC(O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C19H23N5O2S/c1-11-10-20-19(16-6-5-15(27-16)14(25)7-8-26-2)22-18(11)21-17-9-13(23-24-17)12-3-4-12/h5-6,9-10,12,14,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24)
InChIKeySXPVQHOOUQTJOA-UHFFFAOYSA-N
XLogP3.93
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?
The IUPAC name of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol (CID 70792558) is 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol.
What is the SMILES notation for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?
The canonical SMILES for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol is COCCC(O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?
The InChIKey is SXPVQHOOUQTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-11-10-20-19(16-6-5-15(27-16)14(25)7-8-26-2)22-18(11)21-17-9-13(23-24-17)12-3-4-12/h5-6,9-10,12,14,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?
1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol has a molecular weight of 385.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol is sourced from PubChem (CID 70792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).