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

C23H29N3O6 — CID 156790657

IUPAC8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)c1oc2c(c1C1CC1)-c1nn(C[C@H]3COCCO3)cc1CC2
InChIInChI=1S/C23H29N3O6/c27-23(24-9-16-12-28-5-7-30-16)22-19(14-1-2-14)20-18(32-22)4-3-15-10-26(25-21(15)20)11-17-13-29-6-8-31-17/h10,14,16-17H,1-9,11-13H2,(H,24,27)/t16-,17+/m1/s1
InChIKeyUUCWZNUUWWKUCF-SJORKVTESA-N
MW443.50 g/mol
LogP1.68
Rot. Bonds6

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

8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156790657) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
PubChem CID156790657
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
SMILESO=C(NC[C@@H]1COCCO1)c1oc2c(c1C1CC1)-c1nn(C[C@H]3COCCO3)cc1CC2
InChIInChI=1S/C23H29N3O6/c27-23(24-9-16-12-28-5-7-30-16)22-19(14-1-2-14)20-18(32-22)4-3-15-10-26(25-21(15)20)11-17-13-29-6-8-31-17/h10,14,16-17H,1-9,11-13H2,(H,24,27)/t16-,17+/m1/s1
InChIKeyUUCWZNUUWWKUCF-SJORKVTESA-N
XLogP1.68
TPSA96.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The IUPAC name of 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156790657) is 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is O=C(NC[C@@H]1COCCO1)c1oc2c(c1C1CC1)-c1nn(C[C@H]3COCCO3)cc1CC2.
What is the InChIKey of 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
The InChIKey is UUCWZNUUWWKUCF-SJORKVTESA-N. The full InChI is InChI=1S/C23H29N3O6/c27-23(24-9-16-12-28-5-7-30-16)22-19(14-1-2-14)20-18(32-22)4-3-15-10-26(25-21(15)20)11-17-13-29-6-8-31-17/h10,14,16-17H,1-9,11-13H2,(H,24,27)/t16-,17+/m1/s1.
What are the key properties of 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?
8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156790657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).