(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

C22H34N8O — CID 166594738

IUPAC(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3ccnn3C(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C22H34N8O/c1-14(2)18-12-27-30-21(25-11-17-6-8-26-29(17)15(3)4)9-20(28-22(18)30)24-10-16-5-7-23-13-19(16)31/h6,8-9,12,14-16,19,23,25,31H,5,7,10-11,13H2,1-4H3,(H,24,28)/t16-,19+/m1/s1
InChIKeyKGZCIDNWKNXDCC-APWZRJJASA-N
MW426.57 g/mol
LogP2.62
Rot. Bonds8

About (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 166594738) has the molecular formula C22H34N8O and a molecular weight of 426.57 g/mol. Its IUPAC name is (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID166594738
Molecular FormulaC22H34N8O
Molecular Weight426.57 g/mol
Exact Mass426.29
IUPAC Name(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3ccnn3C(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C22H34N8O/c1-14(2)18-12-27-30-21(25-11-17-6-8-26-29(17)15(3)4)9-20(28-22(18)30)24-10-16-5-7-23-13-19(16)31/h6,8-9,12,14-16,19,23,25,31H,5,7,10-11,13H2,1-4H3,(H,24,28)/t16-,19+/m1/s1
InChIKeyKGZCIDNWKNXDCC-APWZRJJASA-N
XLogP2.62
TPSA104.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 123541941
(3R,4R)-4-[[[7-(1,3-benzothiazol-2-ylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166594748
2-chloro-N-[3-[[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]acetamide
CID 170358267
(E)-N-[3-[[[5-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-methylbut-2-enamide
CID 170358283
(3R,4R)-4-[[[3-ethyl-7-[(4-phenylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 167260012
7-N-benzyl-3-propan-2-yl-5-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 123515972
(3R,4R)-4-[[[3-chloro-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166529604
5-N-(piperidin-4-ylmethyl)-3-propan-2-yl-7-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 166529556
7-N-(7,8-dihydroimidazo[1,2-a]pyrimidin-2-ylmethyl)-5-N-(piperidin-4-ylmethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 156790909
3-[[3-cyclopropyl-5-[(3-hydroxypiperidin-4-yl)methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-methylbenzonitrile
CID 155104291
(3R,4R)-4-[[[3-chloro-7-[(2-fluoro-4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166529686
3-[[3-cyclopropyl-5-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-5-fluorobenzonitrile
CID 155104333

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 166594738) is (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CC(C)c1cnn2c(NCc3ccnn3C(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is KGZCIDNWKNXDCC-APWZRJJASA-N. The full InChI is InChI=1S/C22H34N8O/c1-14(2)18-12-27-30-21(25-11-17-6-8-26-29(17)15(3)4)9-20(28-22(18)30)24-10-16-5-7-23-13-19(16)31/h6,8-9,12,14-16,19,23,25,31H,5,7,10-11,13H2,1-4H3,(H,24,28)/t16-,19+/m1/s1.
What are the key properties of (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 426.57 g/mol, XLogP of 2.62, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[3-propan-2-yl-7-[(2-propan-2-ylpyrazol-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 166594738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).