N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide

C20H27N5O4 — CID 75536093

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)nn1C
InChIInChI=1S/C20H27N5O4/c1-12-9-15(23-24(12)2)20(28)22-18-14(10-16(26)19(18)27)13-3-4-17(21-11-13)25-5-7-29-8-6-25/h3-4,9,11,14,16,18-19,26-27H,5-8,10H2,1-2H3,(H,22,28)/t14-,16-,18-,19-/m1/s1
InChIKeyTXZHCFJFIVNTDI-YCEFEEMOSA-N
MW401.47 g/mol
LogP-0.03
Rot. Bonds4

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 75536093) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID75536093
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)nn1C
InChIInChI=1S/C20H27N5O4/c1-12-9-15(23-24(12)2)20(28)22-18-14(10-16(26)19(18)27)13-3-4-17(21-11-13)25-5-7-29-8-6-25/h3-4,9,11,14,16,18-19,26-27H,5-8,10H2,1-2H3,(H,22,28)/t14-,16-,18-,19-/m1/s1
InChIKeyTXZHCFJFIVNTDI-YCEFEEMOSA-N
XLogP-0.03
TPSA112.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide (CID 75536093) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)nn1C.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is TXZHCFJFIVNTDI-YCEFEEMOSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-12-9-15(23-24(12)2)20(28)22-18-14(10-16(26)19(18)27)13-3-4-17(21-11-13)25-5-7-29-8-6-25/h3-4,9,11,14,16,18-19,26-27H,5-8,10H2,1-2H3,(H,22,28)/t14-,16-,18-,19-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75536093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).