[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol

C24H26N6OS — CID 170982302

IUPAC[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4ccccc4)cc3n2)CC1
InChIInChI=1S/C24H26N6OS/c31-14-15-8-10-30(11-9-15)24-25-19-12-20(17-4-2-1-3-5-17)32-22(19)23(27-24)26-21-13-18(28-29-21)16-6-7-16/h1-5,12-13,15-16,31H,6-11,14H2,(H2,25,26,27,28,29)
InChIKeyIRFGZFZLUIINEG-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.91
Rot. Bonds6

About [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol

[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 170982302) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID170982302
Molecular FormulaC24H26N6OS
Molecular Weight446.58 g/mol
Exact Mass446.19
IUPAC Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4ccccc4)cc3n2)CC1
InChIInChI=1S/C24H26N6OS/c31-14-15-8-10-30(11-9-15)24-25-19-12-20(17-4-2-1-3-5-17)32-22(19)23(27-24)26-21-13-18(28-29-21)16-6-7-16/h1-5,12-13,15-16,31H,6-11,14H2,(H2,25,26,27,28,29)
InChIKeyIRFGZFZLUIINEG-UHFFFAOYSA-N
XLogP4.91
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (CID 170982302) is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4ccccc4)cc3n2)CC1.
What is the InChIKey of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is IRFGZFZLUIINEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c31-14-15-8-10-30(11-9-15)24-25-19-12-20(17-4-2-1-3-5-17)32-22(19)23(27-24)26-21-13-18(28-29-21)16-6-7-16/h1-5,12-13,15-16,31H,6-11,14H2,(H2,25,26,27,28,29).
What are the key properties of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 446.58 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 170982302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).