(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine

C17H23N5O — CID 97346498

IUPAC(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)[C@@H](Nc1ccnc(C3CC3)n1)CCC2
InChIInChI=1S/C17H23N5O/c1-23-10-9-22-11-13-3-2-4-14(16(13)21-22)19-15-7-8-18-17(20-15)12-5-6-12/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyLSYWXHPBOAKVLB-AWEZNQCLSA-N
MW313.41 g/mol
LogP2.69
Rot. Bonds6

About (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine

(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 97346498) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID97346498
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)[C@@H](Nc1ccnc(C3CC3)n1)CCC2
InChIInChI=1S/C17H23N5O/c1-23-10-9-22-11-13-3-2-4-14(16(13)21-22)19-15-7-8-18-17(20-15)12-5-6-12/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyLSYWXHPBOAKVLB-AWEZNQCLSA-N
XLogP2.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 97346498) is (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine is COCCn1cc2c(n1)[C@@H](Nc1ccnc(C3CC3)n1)CCC2.
What is the InChIKey of (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is LSYWXHPBOAKVLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-23-10-9-22-11-13-3-2-4-14(16(13)21-22)19-15-7-8-18-17(20-15)12-5-6-12/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
(7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 313.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 97346498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).