(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

C19H29N7O2 — CID 166304858

IUPAC(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
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCc3c(CO)nn(C)c3C2)ncn1
InChIInChI=1S/C19H29N7O2/c1-23(2)8-13-6-14(28)9-26(13)19-7-18(20-12-21-19)25-5-4-15-16(11-27)22-24(3)17(15)10-25/h7,12-14,27-28H,4-6,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyFZGLJCIOSCEEJU-ZIAGYGMSSA-N
MW387.49 g/mol
LogP-0.23
Rot. Bonds5

About (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

(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 (PubChem CID 166304858) 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-[3-(hydroxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(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
PubChem CID166304858
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name(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
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCc3c(CO)nn(C)c3C2)ncn1
InChIInChI=1S/C19H29N7O2/c1-23(2)8-13-6-14(28)9-26(13)19-7-18(20-12-21-19)25-5-4-15-16(11-27)22-24(3)17(15)10-25/h7,12-14,27-28H,4-6,8-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyFZGLJCIOSCEEJU-ZIAGYGMSSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

(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
(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-(methylsulfonylmethyl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 146113339
(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
1-[5-chloro-4-(hydroxymethyl)-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 114920436
(3R,5R)-5-[(dimethylamino)methyl]-1-[6-[[3-(methoxymethyl)cyclobutyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 166292020
1-[(2S,4S)-1-[6-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-4-yl]-4-methoxypyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 154768232
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604
(3R,5R)-1-[6-[(2,2-difluorocyclopropyl)methylamino]pyrimidin-4-yl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 166286004
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056389
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 66057235

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(N2CCc3c(CO)nn(C)c3C2)ncn1.
What is the InChIKey of (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?
The InChIKey is FZGLJCIOSCEEJU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-23(2)8-13-6-14(28)9-26(13)19-7-18(20-12-21-19)25-5-4-15-16(11-27)22-24(3)17(15)10-25/h7,12-14,27-28H,4-6,8-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 387.49 g/mol, XLogP of -0.23, 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-[3-(hydroxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166304858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).