10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one

C19H23N7OS — CID 175895375

IUPAC10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(Nc2nc(C3CC4(CCCNC4=O)CCN3)nc3sccc23)n[nH]1
InChIInChI=1S/C19H23N7OS/c1-11-9-14(26-25-11)22-15-12-3-8-28-17(12)24-16(23-15)13-10-19(5-7-20-13)4-2-6-21-18(19)27/h3,8-9,13,20H,2,4-7,10H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyDKGBLUBUJJYZQS-UHFFFAOYSA-N
MW397.51 g/mol
LogP2.79
Rot. Bonds3

About 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one

10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 175895375) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID175895375
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC Name10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cc(Nc2nc(C3CC4(CCCNC4=O)CCN3)nc3sccc23)n[nH]1
InChIInChI=1S/C19H23N7OS/c1-11-9-14(26-25-11)22-15-12-3-8-28-17(12)24-16(23-15)13-10-19(5-7-20-13)4-2-6-21-18(19)27/h3,8-9,13,20H,2,4-7,10H2,1H3,(H,21,27)(H2,22,23,24,25,26)
InChIKeyDKGBLUBUJJYZQS-UHFFFAOYSA-N
XLogP2.79
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one (CID 175895375) is 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1cc(Nc2nc(C3CC4(CCCNC4=O)CCN3)nc3sccc23)n[nH]1.
What is the InChIKey of 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is DKGBLUBUJJYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-11-9-14(26-25-11)22-15-12-3-8-28-17(12)24-16(23-15)13-10-19(5-7-20-13)4-2-6-21-18(19)27/h3,8-9,13,20H,2,4-7,10H2,1H3,(H,21,27)(H2,22,23,24,25,26).
What are the key properties of 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one?
10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 397.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[2,3-d]pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 175895375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).