N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

C45H54N10O6 — CID 123803611

IUPACN-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2[nH]nc3c(C4CCCN4C(=O)c4cc(-c5n[nH]c6ccnc(OC7CCOCC7)c56)cn4C(C)C)cnc(OC4CCOCC4)c23)cc1C(=O)NC1CC1
InChIInChI=1S/C45H54N10O6/c1-25(2)54-23-27(20-35(54)42(56)48-29-7-8-29)40-38-41(52-51-40)32(22-47-44(38)61-31-12-18-59-19-13-31)34-6-5-15-53(34)45(57)36-21-28(24-55(36)26(3)4)39-37-33(49-50-39)9-14-46-43(37)60-30-10-16-58-17-11-30/h9,14,20-26,29-31,34H,5-8,10-13,15-19H2,1-4H3,(H,48,56)(H,49,50)(H,51,52)
InChIKeyHUJUGEBONHXJAB-UHFFFAOYSA-N
MW830.99 g/mol
LogP7.31
Rot. Bonds12

About N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide

N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 123803611) has the molecular formula C45H54N10O6 and a molecular weight of 830.99 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID123803611
Molecular FormulaC45H54N10O6
Molecular Weight830.99 g/mol
Exact Mass830.42
IUPAC NameN-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(-c2[nH]nc3c(C4CCCN4C(=O)c4cc(-c5n[nH]c6ccnc(OC7CCOCC7)c56)cn4C(C)C)cnc(OC4CCOCC4)c23)cc1C(=O)NC1CC1
InChIInChI=1S/C45H54N10O6/c1-25(2)54-23-27(20-35(54)42(56)48-29-7-8-29)40-38-41(52-51-40)32(22-47-44(38)61-31-12-18-59-19-13-31)34-6-5-15-53(34)45(57)36-21-28(24-55(36)26(3)4)39-37-33(49-50-39)9-14-46-43(37)60-30-10-16-58-17-11-30/h9,14,20-26,29-31,34H,5-8,10-13,15-19H2,1-4H3,(H,48,56)(H,49,50)(H,51,52)
InChIKeyHUJUGEBONHXJAB-UHFFFAOYSA-N
XLogP7.31
TPSA179.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.99
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide (CID 123803611) is N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(-c2[nH]nc3c(C4CCCN4C(=O)c4cc(-c5n[nH]c6ccnc(OC7CCOCC7)c56)cn4C(C)C)cnc(OC4CCOCC4)c23)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is HUJUGEBONHXJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H54N10O6/c1-25(2)54-23-27(20-35(54)42(56)48-29-7-8-29)40-38-41(52-51-40)32(22-47-44(38)61-31-12-18-59-19-13-31)34-6-5-15-53(34)45(57)36-21-28(24-55(36)26(3)4)39-37-33(49-50-39)9-14-46-43(37)60-30-10-16-58-17-11-30/h9,14,20-26,29-31,34H,5-8,10-13,15-19H2,1-4H3,(H,48,56)(H,49,50)(H,51,52).
What are the key properties of N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide?
N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 830.99 g/mol, XLogP of 7.31, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(oxan-4-yloxy)-7-[1-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carbonyl]pyrrolidin-2-yl]-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 123803611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).