2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide

C25H29N7O2S — CID 71746494

IUPAC2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc2sc(C(N)=O)c(-c3cn[nH]c3)c2n1
InChIInChI=1S/C25H29N7O2S/c1-14(2)34-19-10-16(15-6-8-32(3)9-7-15)4-5-18(19)30-25-27-13-20-22(31-25)21(17-11-28-29-12-17)23(35-20)24(26)33/h4-5,10-15H,6-9H2,1-3H3,(H2,26,33)(H,28,29)(H,27,30,31)
InChIKeyKSUUBZYNFSHBOR-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.52
Rot. Bonds7

About 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide

2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71746494) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71746494
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc2sc(C(N)=O)c(-c3cn[nH]c3)c2n1
InChIInChI=1S/C25H29N7O2S/c1-14(2)34-19-10-16(15-6-8-32(3)9-7-15)4-5-18(19)30-25-27-13-20-22(31-25)21(17-11-28-29-12-17)23(35-20)24(26)33/h4-5,10-15H,6-9H2,1-3H3,(H2,26,33)(H,28,29)(H,27,30,31)
InChIKeyKSUUBZYNFSHBOR-UHFFFAOYSA-N
XLogP4.52
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide (CID 71746494) is 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide is CC(C)Oc1cc(C2CCN(C)CC2)ccc1Nc1ncc2sc(C(N)=O)c(-c3cn[nH]c3)c2n1.
What is the InChIKey of 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is KSUUBZYNFSHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-14(2)34-19-10-16(15-6-8-32(3)9-7-15)4-5-18(19)30-25-27-13-20-22(31-25)21(17-11-28-29-12-17)23(35-20)24(26)33/h4-5,10-15H,6-9H2,1-3H3,(H2,26,33)(H,28,29)(H,27,30,31).
What are the key properties of 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide?
2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyanilino]-7-(1H-pyrazol-4-yl)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).