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

C17H23N5O — CID 75475443

IUPACN-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)C(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)
InChIKeyLSYWXHPBOAKVLB-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.69
Rot. Bonds6

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

N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 75475443) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID75475443
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCOCCn1cc2c(n1)C(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)
InChIKeyLSYWXHPBOAKVLB-UHFFFAOYSA-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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Related Compounds

N-[(7S)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-5-nitro-1,3-thiazol-2-amine
CID 124873796
N-[(7R)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-3-sulfonamide
CID 97346805
1-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)urea
CID 154787652
1-(4-fluorophenyl)-N-[2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-oxopyridazine-3-carboxamide
CID 139000931
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
(4R)-2-methyl-N-(2-methylpyrimidin-4-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 129353398
6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346522
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
2-propyl-4,5,6,7-tetrahydroindazol-7-amine
CID 104704114
2-[[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346523
N-[[(7S)-2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]-6-methylpyridine-2-carboxamide
CID 97382363
2-cyclopropyl-N-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-3-yl]pyrimidin-4-amine
CID 172900475

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 75475443) is N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine is COCCn1cc2c(n1)C(Nc1ccnc(C3CC3)n1)CCC2.
What is the InChIKey of N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is LSYWXHPBOAKVLB-UHFFFAOYSA-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).
What are the key properties of N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine?
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 N-(2-cyclopropylpyrimidin-4-yl)-2-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 75475443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).