2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C22H23ClN4O4 — CID 156517880

IUPAC2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(Cc3ncccc3Cl)cc1CC2
InChIInChI=1S/C22H23ClN4O4/c1-13-19-18(31-21(13)22(28)25-9-15-12-29-7-8-30-15)5-4-14-10-27(26-20(14)19)11-17-16(23)3-2-6-24-17/h2-3,6,10,15H,4-5,7-9,11-12H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyRJXZBSHTSFNKBG-OAHLLOKOSA-N
MW442.90 g/mol
LogP2.79
Rot. Bonds5

About 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156517880) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID156517880
Molecular FormulaC22H23ClN4O4
Molecular Weight442.90 g/mol
Exact Mass442.14
IUPAC Name2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESCc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(Cc3ncccc3Cl)cc1CC2
InChIInChI=1S/C22H23ClN4O4/c1-13-19-18(31-21(13)22(28)25-9-15-12-29-7-8-30-15)5-4-14-10-27(26-20(14)19)11-17-16(23)3-2-6-24-17/h2-3,6,10,15H,4-5,7-9,11-12H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyRJXZBSHTSFNKBG-OAHLLOKOSA-N
XLogP2.79
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156517880) is 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is Cc1c(C(=O)NC[C@@H]2COCCO2)oc2c1-c1nn(Cc3ncccc3Cl)cc1CC2.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is RJXZBSHTSFNKBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-13-19-18(31-21(13)22(28)25-9-15-12-29-7-8-30-15)5-4-14-10-27(26-20(14)19)11-17-16(23)3-2-6-24-17/h2-3,6,10,15H,4-5,7-9,11-12H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)methyl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156517880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).