N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide

C24H35N5O2 — CID 71198838

IUPACN-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide
SMILESCCNC[C@@H](NC(=O)c1n[nH]c2ccc(N3CC[C@H](OCC4CC4)C3)cc12)C1CCC1
InChIInChI=1S/C24H35N5O2/c1-2-25-13-22(17-4-3-5-17)26-24(30)23-20-12-18(8-9-21(20)27-28-23)29-11-10-19(14-29)31-15-16-6-7-16/h8-9,12,16-17,19,22,25H,2-7,10-11,13-15H2,1H3,(H,26,30)(H,27,28)/t19-,22+/m0/s1
InChIKeyYIMXYUCPGJJIQL-SIKLNZKXSA-N
MW425.58 g/mol
LogP3.08
Rot. Bonds10

About N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide

N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide (PubChem CID 71198838) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide
PubChem CID71198838
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC NameN-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide
SMILESCCNC[C@@H](NC(=O)c1n[nH]c2ccc(N3CC[C@H](OCC4CC4)C3)cc12)C1CCC1
InChIInChI=1S/C24H35N5O2/c1-2-25-13-22(17-4-3-5-17)26-24(30)23-20-12-18(8-9-21(20)27-28-23)29-11-10-19(14-29)31-15-16-6-7-16/h8-9,12,16-17,19,22,25H,2-7,10-11,13-15H2,1H3,(H,26,30)(H,27,28)/t19-,22+/m0/s1
InChIKeyYIMXYUCPGJJIQL-SIKLNZKXSA-N
XLogP3.08
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide (CID 71198838) is N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide is CCNC[C@@H](NC(=O)c1n[nH]c2ccc(N3CC[C@H](OCC4CC4)C3)cc12)C1CCC1.
What is the InChIKey of N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide?
The InChIKey is YIMXYUCPGJJIQL-SIKLNZKXSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-2-25-13-22(17-4-3-5-17)26-24(30)23-20-12-18(8-9-21(20)27-28-23)29-11-10-19(14-29)31-15-16-6-7-16/h8-9,12,16-17,19,22,25H,2-7,10-11,13-15H2,1H3,(H,26,30)(H,27,28)/t19-,22+/m0/s1.
What are the key properties of N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide?
N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutyl-2-(ethylamino)ethyl]-5-[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).