(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol

C18H26N6O2 — CID 135089852

IUPAC(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C18H26N6O2/c1-13-6-16(22-21-13)7-15-11-23(12-17(15)25)10-14-8-19-18(20-9-14)24-2-4-26-5-3-24/h6,8-9,15,17,25H,2-5,7,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyIGWGFIXDPZCORK-WBVHZDCISA-N
MW358.45 g/mol
LogP0.38
Rot. Bonds5

About (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol (PubChem CID 135089852) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
PubChem CID135089852
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(C[C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]2O)n[nH]1
InChIInChI=1S/C18H26N6O2/c1-13-6-16(22-21-13)7-15-11-23(12-17(15)25)10-14-8-19-18(20-9-14)24-2-4-26-5-3-24/h6,8-9,15,17,25H,2-5,7,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyIGWGFIXDPZCORK-WBVHZDCISA-N
XLogP0.38
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol (CID 135089852) is (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol is Cc1cc(C[C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]2O)n[nH]1.
What is the InChIKey of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IGWGFIXDPZCORK-WBVHZDCISA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-6-16(22-21-13)7-15-11-23(12-17(15)25)10-14-8-19-18(20-9-14)24-2-4-26-5-3-24/h6,8-9,15,17,25H,2-5,7,10-12H2,1H3,(H,21,22)/t15-,17+/m1/s1.
What are the key properties of (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol has a molecular weight of 358.45 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135089852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).