N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide

C22H25N5O2 — CID 86630178

IUPACN-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCNC1
InChIInChI=1S/C22H25N5O2/c1-29-13-22(7-9-23-12-22)21(28)25-16-4-5-18-17(11-16)20(27-26-18)15-6-8-24-19(10-15)14-2-3-14/h4-6,8,10-11,14,23H,2-3,7,9,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyRQRWYKOQUCZLRK-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.07
Rot. Bonds6

About N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide

N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide (PubChem CID 86630178) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
PubChem CID86630178
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCNC1
InChIInChI=1S/C22H25N5O2/c1-29-13-22(7-9-23-12-22)21(28)25-16-4-5-18-17(11-16)20(27-26-18)15-6-8-24-19(10-15)14-2-3-14/h4-6,8,10-11,14,23H,2-3,7,9,12-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyRQRWYKOQUCZLRK-UHFFFAOYSA-N
XLogP3.07
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide (CID 86630178) is N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide is COCC1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCNC1.
What is the InChIKey of N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide?
The InChIKey is RQRWYKOQUCZLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-13-22(7-9-23-12-22)21(28)25-16-4-5-18-17(11-16)20(27-26-18)15-6-8-24-19(10-15)14-2-3-14/h4-6,8,10-11,14,23H,2-3,7,9,12-13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide?
N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropyl-4-pyridinyl)-1H-indazol-5-yl]-3-(methoxymethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 86630178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).