N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C25H30FN5O3 — CID 142576888

IUPACN-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(CC)cc(F)cc4[nH]2)CC3)CC1
InChIInChI=1S/C25H30FN5O3/c1-4-15-10-16(26)11-20-17(15)12-21(27-20)23(32)31-9-6-19-18(13-31)22(29-28-19)24(33)30(3)25(7-8-25)14-34-5-2/h10-12,27H,4-9,13-14H2,1-3H3,(H,28,29)
InChIKeyYLTXZJWLWFTQGX-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.43
Rot. Bonds7

About N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 142576888) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID142576888
Molecular FormulaC25H30FN5O3
Molecular Weight467.55 g/mol
Exact Mass467.23
IUPAC NameN-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(CC)cc(F)cc4[nH]2)CC3)CC1
InChIInChI=1S/C25H30FN5O3/c1-4-15-10-16(26)11-20-17(15)12-21(27-20)23(32)31-9-6-19-18(13-31)22(29-28-19)24(33)30(3)25(7-8-25)14-34-5-2/h10-12,27H,4-9,13-14H2,1-3H3,(H,28,29)
InChIKeyYLTXZJWLWFTQGX-UHFFFAOYSA-N
XLogP3.43
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 142576888) is N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCOCC1(N(C)C(=O)c2n[nH]c3c2CN(C(=O)c2cc4c(CC)cc(F)cc4[nH]2)CC3)CC1.
What is the InChIKey of N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is YLTXZJWLWFTQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-4-15-10-16(26)11-20-17(15)12-21(27-20)23(32)31-9-6-19-18(13-31)22(29-28-19)24(33)30(3)25(7-8-25)14-34-5-2/h10-12,27H,4-9,13-14H2,1-3H3,(H,28,29).
What are the key properties of N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)cyclopropyl]-5-(4-ethyl-6-fluoro-1H-indole-2-carbonyl)-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 142576888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).