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

C22H24F2N8OS — CID 170982312

IUPAC[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4cnn(C(F)F)c4)cc3n2)CC1
InChIInChI=1S/C22H24F2N8OS/c23-21(24)32-10-14(9-25-32)17-7-16-19(34-17)20(27-18-8-15(29-30-18)13-1-2-13)28-22(26-16)31-5-3-12(11-33)4-6-31/h7-10,12-13,21,33H,1-6,11H2,(H2,26,27,28,29,30)
InChIKeyMWHZHJHSHNYCGN-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.50
Rot. Bonds7

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

[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 170982312) has the molecular formula C22H24F2N8OS and a molecular weight of 486.55 g/mol. Its IUPAC name is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
PubChem CID170982312
Molecular FormulaC22H24F2N8OS
Molecular Weight486.55 g/mol
Exact Mass486.18
IUPAC Name[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4cnn(C(F)F)c4)cc3n2)CC1
InChIInChI=1S/C22H24F2N8OS/c23-21(24)32-10-14(9-25-32)17-7-16-19(34-17)20(27-18-8-15(29-30-18)13-1-2-13)28-22(26-16)31-5-3-12(11-33)4-6-31/h7-10,12-13,21,33H,1-6,11H2,(H2,26,27,28,29,30)
InChIKeyMWHZHJHSHNYCGN-UHFFFAOYSA-N
XLogP4.50
TPSA107.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-phenylthieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
CID 170982302
2-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]thieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 170982473
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 71213071
N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-fluoro-2-[(3S)-3-methoxypyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 170982446
2-(4-aminopiperidin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 122178549
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methyl-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
CID 170982452
2-[4-(3-cyanopropyl)piperidin-1-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-methylpyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 170982333
CID 88969890
CID 88969890
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
1-[4-[6-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]ethanone
CID 134816427
CID 70792463
CID 70792463
1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethane-1,2-diol
CID 50943955

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (CID 170982312) is [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[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-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3sc(-c4cnn(C(F)F)c4)cc3n2)CC1.
What is the InChIKey of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
The InChIKey is MWHZHJHSHNYCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N8OS/c23-21(24)32-10-14(9-25-32)17-7-16-19(34-17)20(27-18-8-15(29-30-18)13-1-2-13)28-22(26-16)31-5-3-12(11-33)4-6-31/h7-10,12-13,21,33H,1-6,11H2,(H2,26,27,28,29,30).
What are the key properties of [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol?
[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 486.55 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[1-(difluoromethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 170982312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).