(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol

C19H29N7O2 — CID 166286023

IUPAC(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCn3nc(CO)cc3C2)ncn1
InChIInChI=1S/C19H29N7O2/c1-23(2)9-15-7-17(28)11-25(15)19-8-18(20-13-21-19)24-4-3-5-26-16(10-24)6-14(12-27)22-26/h6,8,13,15,17,27-28H,3-5,7,9-12H2,1-2H3/t15-,17-/m1/s1
InChIKeyQWTPMYJQNCXOOX-NVXWUHKLSA-N
MW387.49 g/mol
LogP0.08
Rot. Bonds5

About (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 166286023) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID166286023
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCn3nc(CO)cc3C2)ncn1
InChIInChI=1S/C19H29N7O2/c1-23(2)9-15-7-17(28)11-25(15)19-8-18(20-13-21-19)24-4-3-5-26-16(10-24)6-14(12-27)22-26/h6,8,13,15,17,27-28H,3-5,7,9-12H2,1-2H3/t15-,17-/m1/s1
InChIKeyQWTPMYJQNCXOOX-NVXWUHKLSA-N
XLogP0.08
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(hydroxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166304858
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113339
(3R,5R)-1-[6-(8-amino-3,4-dihydro-1H-2,7-naphthyridin-2-yl)pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 146113316
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[3-(1-methyltriazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166286019
5-[(dimethylamino)methyl]-1-[6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856273
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[3-(methoxymethyl)cyclobutyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166292020
[5-[6-(propan-2-ylamino)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91774026
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 114920436
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 167926610
3-[5-(6-piperidin-1-ylpyrimidin-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 70762237
5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
CID 146113312

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol (CID 166286023) is (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCCn3nc(CO)cc3C2)ncn1.
What is the InChIKey of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is QWTPMYJQNCXOOX-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-23(2)9-15-7-17(28)11-25(15)19-8-18(20-13-21-19)24-4-3-5-26-16(10-24)6-14(12-27)22-26/h6,8,13,15,17,27-28H,3-5,7,9-12H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol?
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 387.49 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(dimethylamino)methyl]-1-[6-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166286023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).