(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

C19H27N5O3 — CID 75536132

IUPAC(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C19H27N5O3/c1-23-12-13(10-22-23)9-21-18-15(8-16(25)19(18)26)14-2-3-17(20-11-14)24-4-6-27-7-5-24/h2-3,10-12,15-16,18-19,21,25-26H,4-9H2,1H3/t15-,16-,18-,19-/m1/s1
InChIKeyUKENDCQARCDIPV-PSBWJHGTSA-N
MW373.46 g/mol
LogP0.02
Rot. Bonds5

About (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (PubChem CID 75536132) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
PubChem CID75536132
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cn1
InChIInChI=1S/C19H27N5O3/c1-23-12-13(10-22-23)9-21-18-15(8-16(25)19(18)26)14-2-3-17(20-11-14)24-4-6-27-7-5-24/h2-3,10-12,15-16,18-19,21,25-26H,4-9H2,1H3/t15-,16-,18-,19-/m1/s1
InChIKeyUKENDCQARCDIPV-PSBWJHGTSA-N
XLogP0.02
TPSA95.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (CID 75536132) is (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is Cn1cc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)cn1.
What is the InChIKey of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The InChIKey is UKENDCQARCDIPV-PSBWJHGTSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-23-12-13(10-22-23)9-21-18-15(8-16(25)19(18)26)14-2-3-17(20-11-14)24-4-6-27-7-5-24/h2-3,10-12,15-16,18-19,21,25-26H,4-9H2,1H3/t15-,16-,18-,19-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol has a molecular weight of 373.46 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-[(1-methylpyrazol-4-yl)methylamino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75536132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).