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

C23H34N8O — CID 166594742

IUPAC(3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3cccnc3N(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C23H34N8O/c1-15(2)18-13-28-31-21(27-12-17-6-5-8-25-22(17)30(3)4)10-20(29-23(18)31)26-11-16-7-9-24-14-19(16)32/h5-6,8,10,13,15-16,19,24,27,32H,7,9,11-12,14H2,1-4H3,(H,26,29)/t16-,19+/m1/s1
InChIKeyOIBBCAGCMFNITD-APWZRJJASA-N
MW438.58 g/mol
LogP2.31
Rot. Bonds8

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

(3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (PubChem CID 166594742) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
PubChem CID166594742
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Name(3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
SMILESCC(C)c1cnn2c(NCc3cccnc3N(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChIInChI=1S/C23H34N8O/c1-15(2)18-13-28-31-21(27-12-17-6-5-8-25-22(17)30(3)4)10-20(29-23(18)31)26-11-16-7-9-24-14-19(16)32/h5-6,8,10,13,15-16,19,24,27,32H,7,9,11-12,14H2,1-4H3,(H,26,29)/t16-,19+/m1/s1
InChIKeyOIBBCAGCMFNITD-APWZRJJASA-N
XLogP2.31
TPSA102.64 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol (CID 166594742) is (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is CC(C)c1cnn2c(NCc3cccnc3N(C)C)cc(NC[C@H]3CCNC[C@@H]3O)nc12.
What is the InChIKey of (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
The InChIKey is OIBBCAGCMFNITD-APWZRJJASA-N. The full InChI is InChI=1S/C23H34N8O/c1-15(2)18-13-28-31-21(27-12-17-6-5-8-25-22(17)30(3)4)10-20(29-23(18)31)26-11-16-7-9-24-14-19(16)32/h5-6,8,10,13,15-16,19,24,27,32H,7,9,11-12,14H2,1-4H3,(H,26,29)/t16-,19+/m1/s1.
What are the key properties of (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol?
(3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol has a molecular weight of 438.58 g/mol, XLogP of 2.31, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[[[7-[[2-(dimethylamino)-3-pyridinyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 166594742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).